SCHEMBL3430968

SCHEMBL3430968

CC(C)c1ccc2c(c1)CCOC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 3/20 0.34
TRPA1 O75762 1/20 0.33
PTGS1 P23219 1/20 0.33
CACNA1C Q13936 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KARS1 Q15046 2/20 0.33
TSHR P16473 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13711517 0.93 KCNH2 (0.40) KCNH2LMNAHPGDGFERHSD17B10
SCHEMBL5520992 0.84 LMNA (0.39) LMNAHPGDGFERHSD17B10CYP3A4
SCHEMBL28841938 0.82 HTR2C (0.34) KCNH2CYP3A4NPSR1MEN1KMT2A
SCHEMBL12844790 0.81 ADRA2A (0.34) KCNH2P2RX3
SCHEMBL13617896 0.80 KDM4E (0.46) KCNH2LMNAHSD17B10KMT2ATSHR
SCHEMBL9886765 0.76 LMNA (0.39) LMNAHPGDGFERHSD17B10CYP3A4
SCHEMBL23739398 0.76 ROCK2 (0.34) KCNH2OGA
SCHEMBL8256199 0.75 PTGS1 (0.41) LMNAPTGS1KMT2AGAAHTT
SCHEMBL16744203 0.75 MAPT (0.31) MAPT
SCHEMBL24102223 0.75 LMNA (0.47) LMNAHPGDGFERHSD17B10TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20230286991-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-09-14 US disclosed
US-20230286991-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-09-14 US disclosed
US-20230257381-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-08-17 US disclosed
US-20230257381-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-08-17 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20210395241-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2021-12-23 US disclosed
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC 2021-03-04 US disclosed
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION SEIWERT SCOTT D (US) 2012-10-04 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 US disclosed
US-20110129444-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2011-06-02 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP KCNH2 4229/4885LMNA 947/4885HPGD 1047/4885
US-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 KCNH2 810/4885LMNA 728/4885HPGD 506/4885
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 KCNH2 4208/4885LMNA 1725/4885HPGD 2820/4885
US-20210395241-A1 NLRP MODULATORS NLRP1, NLRP3, NOD1 KCNH2 4553/4885LMNA 3502/4885HPGD 3018/4885
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF KCNH2 4528/4885LMNA 2948/4885HPGD 3046/4885
US-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS KCNH2 4318/4885LMNA 2267/4885HPGD 2680/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 KCNH2 4208/4885LMNA 1725/4885HPGD 2820/4885
US-20230286991-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM5 KCNH2 322/4885LMNA 4723/4885HPGD 3114/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 KCNH2 4860/4885LMNA 3488/4885HPGD 3718/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 KCNH2 3718/4885LMNA 1625/4885HPGD 2775/4885
US-20110129444-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS KCNH2 4318/4885LMNA 2267/4885HPGD 2680/4885
US-20210061790-A1 5-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 KCNH2 936/4885LMNA 3778/4885HPGD 431/4885
US-20230257381-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM1, CHRM5 KCNH2 318/4885LMNA 4707/4885HPGD 2761/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 KCNH2 4538/4885LMNA 3914/4885HPGD 2991/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.