SCHEMBL3743071

SCHEMBL3743071

CCC/C=C/c1ccc(-c2c(C)c(CNC(=S)NCCCC)nn2-c2ccc(Cl)cc2Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.56
CNR1 P21554 11/20 0.56
OPRL1 P41146 2/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3743080 1.00 CNR2 (0.56) CNR2CNR1OPRL1KCNH2
SCHEMBL3749842 0.86 CNR1 (0.58) CNR2CNR1OPRL1KCNH2
SCHEMBL3749845 0.86 CNR1 (0.58) CNR2CNR1OPRL1KCNH2
SCHEMBL3747339 0.86 CNR2 (0.61) CNR2CNR1OPRL1KCNH2
SCHEMBL3747344 0.86 CNR2 (0.61) CNR2CNR1OPRL1KCNH2
SCHEMBL13045517 0.84 CNR2 (0.44) CNR2CNR1OPRL1KCNH2
SCHEMBL3747408 0.83 CNR1 (0.63) CNR2CNR1OPRL1KCNH2
SCHEMBL3747404 0.83 CNR1 (0.63) CNR2CNR1OPRL1KCNH2
SCHEMBL3741225 0.81 CNR1 (0.63) CNR2CNR1OPRL1KCNH2
SCHEMBL3741230 0.81 CNR1 (0.63) CNR2CNR1OPRL1KCNH2

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
EP-2068870-B1 THIOPHENE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2013-03-27 EP disclosed
US-7834046-B2 Thiophene compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-11-16 US disclosed
EP-2068870-A2 THIOPHENE COMPOUNDS National Health Research Institutes (TW) 2009-06-17 EP disclosed
US-20090029969-A2 Thiophene Compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2009-01-29 US disclosed
WO-2008057681-A2 THIOPHENE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 WO disclosed
US-20080090810-A1 THIOPHENE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-17 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-20080090810-A1 THIOPHENE COMPOUNDS CNR1, CNR2, HTR2C CNR2 2/4885CNR1 1/4885OPRL1 4/4885
US-20090029969-A2 Thiophene Compounds CNR1, CNR2, HTR2C CNR2 2/4885CNR1 1/4885OPRL1 4/4885

“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.