SCHEMBL662250

SCHEMBL662250

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(I)cc2)c1C

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.65
CNR2 P34972 12/20 0.64
MAPT P10636 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
GPR55 Q9Y2T6 2/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GABRA2 P47869 1/20 0.60
GABRB2 P47870 1/20 0.60
ALOX15 P16050 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL923180 0.95 CNR2 (0.71) CNR1CNR2
SCHEMBL29838956 0.95 CNR2 (0.71) CNR1CNR2
SCHEMBL12907707 0.93 CNR1 (0.66) CNR1CNR2MAPTKDM4EMEN1
SCHEMBL4612450 0.92 CNR1 (0.67) CNR1CNR2MAPTKDM4EMEN1
SCHEMBL2627954 0.91 CNR1 (0.68) CNR1CNR2GABRA2GABRB2
SCHEMBL30961554 0.91 CNR1 (0.68) CNR1CNR2GABRA2GABRB2
SCHEMBL2873082 0.91 CNR1 (0.65) CNR1CNR2MAPTKDM4EMEN1
SCHEMBL2875643 0.90 CNR1 (0.63) CNR1CNR2MAPTKDM4EMEN1
SCHEMBL14247059 0.89 CNR1 (0.62) CNR1CNR2MAPTKDM4EMEN1
SCHEMBL4003221 0.88 CNR1 (0.64) CNR1CNR2MAPTKDM4EMEN1

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 4 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
EP-2398323-A1 NOVEL HETERO PYRROLE ANALOGS ACTING ON CANNAPINOID RECEPTORS University of Connecticut (US) 2011-12-28 EP disclosed
WO-2010104488-A1 NOVEL HETERO PYRROLE ANALOGS ACTING ON CANNAPINOID RECEPTORS UNIVERSITY OF CONNECTICUT (US) 2010-09-16 WO 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 CNR1 1/4885CNR2 2/4885MAPT 4281/4885

“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.