SCHEMBL4801677

SCHEMBL4801677

Clc1ccc(-c2c(OC3CC3)nc(N3CCCC3)nc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.43
CNR2 P34972 3/20 0.43
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRL1 P41146 4/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL14107185 0.84 CNR1 (0.49) CNR1CNR2POLBMAPK1ATM
SCHEMBL4809553 0.83 CNR1 (0.46) CNR1CNR2OPRL1
SCHEMBL4801740 0.79 CNR1 (0.55) CNR1CNR2POLBMAPK1ATM
SCHEMBL14107199 0.79 TDP1 (0.43) CNR1CNR2POLBMAPK1ATM
SCHEMBL4804287 0.79 CNR1 (0.54) CNR1CNR2POLBMAPK1ATM
SCHEMBL4807727 0.78 CNR1 (0.41) CNR1CNR2POLBMAPK1ATM
SCHEMBL4800838 0.77 CNR1 (0.42) CNR1CNR2OPRL1
SCHEMBL4810696 0.77 CNR1 (0.56) CNR1CNR2
SCHEMBL4807646 0.76 CNR1 (0.55) CNR1CNR2
SCHEMBL4804516 0.75 CNR1 (0.42) CNR1CNR2OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US claimed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US claimed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 US disclosed
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 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-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 CNR1 1/4885CNR2 2/4885POLB 441/4885

“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.