SCHEMBL661692

SCHEMBL661692

Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.68
CNR1 P21554 7/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2D6 P10635 2/20 0.68
MAPT P10636 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
GPR55 Q9Y2T6 2/20 0.68
LMNA P02545 1/20 0.68
CYP3A4 P08684 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
ALOX15 P16050 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL30571219 0.94 CNR2 (0.76) CNR2CNR1
SCHEMBL924033 0.94 CNR2 (0.76) CNR2CNR1
Hydrochloric Acid SCHEMBL3002214 0.93 CNR2 (0.74) CNR2CNR1
SCHEMBL12907702 0.92 CNR2 (0.69) CNR2CNR1
SCHEMBL3085088 0.91 CNR1 (0.73) CNR2CNR1
SCHEMBL16197758 0.90 CNR1 (0.69) CNR2CNR1
SCHEMBL2878177 0.89 CNR1 (0.67) CNR2CNR1
SCHEMBL2120721 0.89 CNR1 (0.73) CNR2CNR1
SCHEMBL30961569 0.89 CNR1 (0.73) CNR2CNR1
SCHEMBL17565777 0.89 CNR2 (0.69) CNR2CNR1CYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853205-B2 Heteropyrrole analogs acting on cannabinoid receptors UNIVERSITY OF CONNECTICUT (US) 2014-10-07 US disclosed
US-20120046280-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS UNIVERSITY OF CONNECTICUT 2012-02-23 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-20120046280-A1 NOVEL HETEROPYRROLE ANALOGS ACTING ON CANNABINOID RECEPTORS CNR1, CNR2, CBR3 CNR2 2/4885CNR1 1/4885CYP1A2 867/4885

“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.