SCHEMBL104458

SCHEMBL104458

CC(C)CC1COCCO1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR5A P47898 1/20 0.31

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
SCHEMBL20793890 1.00 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL20793588 1.00 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL11928865 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL23250875 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL23250876 0.98 CHRM2 (0.48) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL22858624 0.87 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL18401325 0.83 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL19441509 0.83 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL13745062 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3ALDH1A1
SCHEMBL8895315 0.83 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230398110-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-12-14 US disclosed
EP-3761980-B1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-11-29 EP disclosed
WO-2023225119-A1 STABILIZATION OF INTEGRIN INHIBITORS PLIANT THERAPEUTICS, INC. (US) 2023-11-23 WO disclosed
US-20230301989-A1 COMPOSITIONS AND METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-09-28 US disclosed
WO-2023173083-A1 TETRAHYDROINDOLE DERIVATIVES AS EGFR AND/OR HER2 INHIBTORS USEFUL FOR THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
WO-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 US disclosed
US-11718613-B2 N-(phenylsulfonyl)benzamides and related compounds as Bcl-2 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-08-08 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-10221174-B2 N-(phenylsulfonyl)benzamides and related compounds as BCL-2 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-03-05 US disclosed
WO-2019036384-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7393873-B2 Arylsulfonamide derivatives MERCK & CO., INC. (US) 2008-07-01 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 (10 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 CHRM2 201/4885CHRM4 215/4885CHRM5 165/4885
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK CHRM2 1695/4885CHRM4 1836/4885CHRM5 1651/4885
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CHRM2 480/4885CHRM4 265/4885CHRM5 527/4885
US-20230301989-A1 COMPOSITIONS AND METHODS FOR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS SSB, BCL3, BCL6 CHRM2 4810/4885CHRM4 4870/4885CHRM5 4847/4885
US-20230398110-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS FABP1, LIPC, PNLIP CHRM2 4361/4885CHRM4 4664/4885CHRM5 4475/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CHRM2 524/4885CHRM4 1348/4885CHRM5 430/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 CHRM2 196/4885CHRM4 219/4885CHRM5 160/4885
US-10221174-B2 N-(phenylsulfonyl)benzamides and related compounds as BCL-2 inhibitors BCL2A1, BCL3, BCL2 CHRM2 4386/4885CHRM4 4805/4885CHRM5 4659/4885
US-11718613-B2 N-(phenylsulfonyl)benzamides and related compounds as Bcl-2 inhibitors BCL2A1, BCL3, BCL2 CHRM2 4386/4885CHRM4 4805/4885CHRM5 4659/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CHRM2 524/4885CHRM4 1348/4885CHRM5 430/4885

“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.