SCHEMBL4840295

SCHEMBL4840295

CCOC(=O)C1CN(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c3nn(CC)c(=O)n23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.38
CNR1 P21554 2/20 0.37
MAPK1 P28482 3/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 4/20 0.37
HSD17B10 Q99714 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4841505 0.87 CNR1 (0.41) SMN1; SMN2MAPTCNR1LMNATP53
SCHEMBL14003401 0.86 CNR1 (0.41) SMN1; SMN2CNR1LMNATP53CYP3A4
SCHEMBL4840650 0.81 CNR1 (0.42) MAPTCNR1NPSR1LMNACYP3A4
SCHEMBL14003387 0.81 CNR1 (0.42) KDM4EALDH1A1HPGDHTTL3MBTL1
SCHEMBL4832103 0.79 KMT2A (0.44) KDM4EALDH1A1MAPTCNR1TSHR
SCHEMBL14003380 0.77 CNR1 (0.38) ALDH1A1HPGDCNR1MEN1KMT2A
SCHEMBL4839530 0.76 CNR1 (0.44) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL14003402 0.74 MAPT (0.38) ALDH1A1MAPTCNR1NPSR1LMNA
SCHEMBL14003386 0.70 POLB (0.42) ALDH1A1SMN1; SMN2MAPTCNR1MAPK1
SCHEMBL14003384 0.70 KMT2A (0.43) KDM4EALDH1A1HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 KDM4E 3169/4885ALDH1A1 1549/4885HPGD 1648/4885

“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.