SCHEMBL829871

SCHEMBL829871

CCc1ccc(C(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.34
TYR P14679 1/20 0.34
KIF11 P52732 2/20 0.34
RAB9A P51151 4/20 0.34
POLB P06746 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DGAT1 O75907 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL9906393 0.83 HCRTR1 (0.41) TSHRRAB9ANPC1ALDH1A1HCRTR1
SCHEMBL3235456 0.83 PDE2A (0.35) POLBHCRTR1HCRTR2HRH3
SCHEMBL10285101 0.83 NPC1 (0.38) LMNARAB9AATMNPC1SMN1; SMN2
SCHEMBL12227506 0.81 LOXL2 (0.40) TSHRLMNATYRKIF11RAB9A
SCHEMBL2611199 0.81 RAB9A (0.37) TSHRLMNATYRKIF11RAB9A
SCHEMBL15118907 0.81 TSHR (0.34) TSHRLMNATYRKIF11RAB9A
SCHEMBL256661 0.81 KMT2A (0.47) TSHRRAB9APOLBL3MBTL1NPC1
SCHEMBL2739659 0.81 LMNA (0.38) TSHRLMNATYRKIF11RAB9A
SCHEMBL12321295 0.80 GABRP (0.40) TSHRLMNARAB9AL3MBTL1NPC1
SCHEMBL18752226 0.79 MBOAT4 (0.33) POLBHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
US-11760728-B2 Tead inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-09-19 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-11730723-B2 Compounds and methods for treating viral infections LEXICON PHARMACEUTICALS, INC. (US) 2023-08-22 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
EP-4177249-A1 IMMUNOMODULATOR Hitgen Inc. (CN) 2023-05-10 EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2009-04-09 US disclosed
US-20090076064-A1 Compounds ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
US-7498342-B2 Compounds modulating c-kit activity PLEXXIKON, INC. (US) 2009-03-03 US disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 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 (15 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-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 TSHR 4301/4885LMNA 4224/4885TYR 1897/4885
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 TSHR 1698/4885LMNA 1140/4885TYR 3218/4885
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 TSHR 4671/4885LMNA 1581/4885TYR 1658/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 TSHR 2042/4885LMNA 1845/4885TYR 3070/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885LMNA 2856/4885TYR 865/4885
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD TSHR 4623/4885LMNA 1933/4885TYR 1590/4885
US-20090076064-A1 Compounds CEL, PLA2G2D, CCKBR TSHR 2657/4885LMNA 1959/4885TYR 1279/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 TSHR 3288/4885LMNA 1338/4885TYR 561/4885
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY NOX1, NOX3, ELANE TSHR 743/4885LMNA 1669/4885TYR 555/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 TSHR 3288/4885LMNA 1338/4885TYR 561/4885
US-11730723-B2 Compounds and methods for treating viral infections EIF2AK2, SARS1, MAVS TSHR 4811/4885LMNA 2553/4885TYR 4268/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP TSHR 2088/4885LMNA 2014/4885TYR 2756/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 TSHR 1357/4885LMNA 1371/4885TYR 3112/4885
US-11760728-B2 Tead inhibitors and uses thereof TEAD2, TEAD3, TEAD4 TSHR 4635/4885LMNA 2907/4885TYR 213/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP TSHR 909/4885LMNA 1308/4885TYR 722/4885

“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.