SCHEMBL4840994

SCHEMBL4840994

O=c1[nH]nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc(Cl)n12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 7/20 0.45
PDE1B Q01064 7/20 0.45
PDE3B Q13370 7/20 0.45
PDE1C Q14123 7/20 0.45
PDE3A Q14432 7/20 0.45
PDE5A O76074 4/20 0.45
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
ALPL P05186 1/20 0.40
PSD A5PKW4 2/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NOTUM Q6P988 2/20 0.36

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
SCHEMBL4842089 0.86 PDE1A (0.43) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4839988 0.86 PDE1A (0.47) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4836459 0.82 PDE1A (0.40) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4842041 0.79 PDE1A (0.38) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4832235 0.79 PDE1A (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4839468 0.78 NOTUM (0.40) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4841633 0.71 PDE3B (0.48) PDE1APDE1BPDE3BPDE1CPDE3A
SCHEMBL4807426 0.70 RAB9A (0.41) CNR1KDM4ELMNAPOLBHPGD
SCHEMBL3557459 0.69 HPGD (0.41) CNR1PSDKDM4ELMNAPOLB
SCHEMBL3551803 0.69 NOTUM (0.46) PDE1APDE1BPDE3BPDE1CPDE3A

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 PDE1A 488/4885PDE1B 424/4885PDE3B 1918/4885

“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.