SCHEMBL3960137

SCHEMBL3960137

CCCN(CCC)C(=O)Cn1nc(C(=O)C(C)C)c2ccc(OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
TSPO P30536 5/20 0.38
CFD P00746 1/20 0.38
HTR3A P46098 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ELANE P08246 2/20 0.35
GPR139 Q6DWJ6 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3952709 0.96 EDNRA (0.39) ATMGSK3AGSK3BTSPOCFD
SCHEMBL3958837 0.94 EDNRB (0.38) ATMGSK3AGSK3BTSPOEDNRB
SCHEMBL3950085 0.93 ATM (0.35) ATMGSK3AGSK3BTSPOCFD
SCHEMBL3950076 0.91 CFD (0.41) ATMGSK3AGSK3BTSPOCFD
SCHEMBL3955748 0.91 HTR3A (0.38) ATMGSK3AGSK3BCFDHTR3A
SCHEMBL3949945 0.90 KDM4E (0.40) ATMGSK3AGSK3BTSPOKDM4E
SCHEMBL4784303 0.90 TSPO (0.39) ATMGSK3AGSK3BTSPOHTR3A
SCHEMBL4783461 0.89 TSPO (0.38) ATMGSK3AGSK3BTSPOHTR3A
SCHEMBL3951567 0.88 HTR3A (0.37) ATMTSPOCFDHTR3AKDM4E
SCHEMBL3953798 0.88 CFD (0.39) ATMGSK3AGSK3BTSPOCFD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771170-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-07-08 EP claimed
US-20080032951-A1 Ophthalmic Compositions For Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-02-07 US claimed
EP-1771170-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-04-11 EP claimed
WO-2006020003-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-02-23 WO claimed
US-7563816-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-07-21 US disclosed
EP-1771170-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2009-07-08 EP disclosed
US-20080032951-A1 Ophthalmic Compositions For Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2008-02-07 US disclosed
EP-1771170-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2007-04-11 EP disclosed
WO-2006020003-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2006-02-23 WO 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 (1 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-20080032951-A1 Ophthalmic Compositions For Treating Ocular Hypertension KCNH2, KCNN1, KCNH3 ATM 4474/4885GSK3A 1780/4885GSK3B 1465/4885

“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.