SCHEMBL4482799

SCHEMBL4482799

ClCc1ccc(-c2ccon2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
P2RX3 P56373 1/20 0.30
GUCY1B2 O75343 1/20 0.30
GUCY1A2 P33402 1/20 0.30
GUCY1A1 Q02108 1/20 0.30
GUCY1B1 Q02153 1/20 0.30

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
SCHEMBL13114697 0.83 CYP1A2 (0.51) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL25344353 0.73 PIK3CD (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30473743 0.73 PIK3CD (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2726056 0.73 CYP1A2 (0.47) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4059081 0.72 CYP1A2 (0.57) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27163538 0.70 CYP2A6 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL31434704 0.69 CHEK2 (0.42) NPC1RAB9A
SCHEMBL29544673 0.69 NPC1 (0.51) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2554715 0.68 RAB9A (0.45) CYP1A2NPC1RAB9A
SCHEMBL4592575 0.68 GFER (0.46) CYP1A2CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 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
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
EP-1891068-A1 TRIAZOLOPYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-02-27 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006138734-A1 TRIAZOLOPYRIMIDINE CANNABINOID RECEPTOR 1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
WO-2006138695-A1 TRIAZOLOPYRIDINE DERIVATIVES AS 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 (2 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 CYP1A2 446/4885CYP2D6 247/4885CYP19A1 2522/4885
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 CYP1A2 421/4885CYP2D6 431/4885CYP19A1 2129/4885

“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.