SCHEMBL10138873

SCHEMBL10138873

O=C(NN1CCOCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(I)cc2)c1CO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.77
CNR2 P34972 8/20 0.77
CYP2C9 P11712 3/20 0.77
GPR55 Q9Y2T6 3/20 0.77
CYP1A2 P05177 2/20 0.77
CYP2D6 P10635 2/20 0.77
MAPT P10636 2/20 0.77
CYP2C19 P33261 2/20 0.77
KDM4E B2RXH2 1/20 0.77
MEN1 O00255 1/20 0.77
ALOX15 P16050 1/20 0.77
KMT2A Q03164 1/20 0.77
TDP1 Q9NUW8 1/20 0.77
LMNA P02545 1/20 0.64
CYP3A4 P08684 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ABCC4 O15439 1/20 0.57
MLNR O43193 1/20 0.57
ABCB11 O95342 1/20 0.57
CHRM2 P08172 1/20 0.57

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
SCHEMBL10138898 0.92 CNR1 (0.79) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL1517458 0.87 CNR1 (1.00) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL29835959 0.87 CNR1 (1.00) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL10170797 0.87 CNR1 (0.64) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL31529008 0.87 CNR1 (0.70) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL7770518 0.86 CNR1 (0.81) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL31529040 0.85 CNR1 (0.64) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL31528995 0.85 CNR1 (0.62) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL31529042 0.85 CNR1 (0.67) CNR1CNR2CYP2C9GPR55CYP1A2
SCHEMBL662796 0.85 CNR1 (0.67) CNR1CNR2CYP2C9GPR55CYP1A2

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-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
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 CNR1 1/4885CNR2 2/4885CYP2C9 654/4885

“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.