SCHEMBL4040281

SCHEMBL4040281

CCC(CC)CN(Cc1ccc(Cl)cc1Cl)C1CCc2c(sc(NC(=O)C(CC)CC)c2C#N)C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.82
TP53 P04637 1/20 0.51
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4035262 0.94 GCGR (0.82) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4042010 0.91 GCGR (0.80) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4038691 0.91 GCGR (0.82) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL6309455 0.89 GCGR (0.68) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4037039 0.89 GCGR (0.78) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4043143 0.89 GCGR (0.79) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4037339 0.89 GCGR (1.00) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4039696 0.88 GCGR (0.77) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4039309 0.87 GCGR (0.75) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4039821 0.87 GCGR (0.75) GCGRTP53ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP claimed
EP-1549655-A4 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2006-05-31 EP claimed
EP-1549655-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-07-06 EP claimed
WO-2004024065-A2 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-03-25 WO claimed
EP-1549655-B1 SUBSTITUTED BICYCLIC THIOPHENE DERIVATIVES, COMPOSTIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 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 (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-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885TP53 3716/4885ALDH1A1 4206/4885

“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.