SCHEMBL4807597

SCHEMBL4807597

CC(Oc1ncc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.39
CNR2 P34972 6/20 0.39
CRHR1 P34998 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DPP4 P27487 1/20 0.38
SLC6A4 P31645 1/20 0.38
F2RL3 Q96RI0 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4807845 0.92 CNR1 (0.46) CNR1CNR2CRHR1KDM4ENPC1
SCHEMBL4801542 0.81 CNR1 (0.55) CNR1CNR2KDM4ENPC1TP53
SCHEMBL4801288 0.75 CNR1 (0.47) CNR1CNR2SMN1; SMN2MAPT
SCHEMBL4808893 0.74 CNR1 (0.46) CNR1CNR2KDM4EDPP4
SCHEMBL4808602 0.74 CNR1 (0.56) CNR1CNR2DPP4
SCHEMBL4810474 0.73 CNR1 (0.61) CNR1CNR2DPP4MAPTL3MBTL1
SCHEMBL4801977 0.73 CNR1 (0.63) CNR1CNR2
SCHEMBL5358957 0.71 CNR1 (0.74) CNR1CNR2
SCHEMBL4802335 0.71 CNR1 (0.54) CNR1CNR2KDM4EMAPT
SCHEMBL4808211 0.71 CNR1 (0.43) CNR1CNR2

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 10 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
EP-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP claimed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO claimed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
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 2/4885CRHR1 233/4885

“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.