SCHEMBL10170758

SCHEMBL10170758

N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 1.00
CNR2 P34972 7/20 0.75
CYP2C9 P11712 2/20 0.75
GPR55 Q9Y2T6 2/20 0.75
LMNA P02545 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2D6 P10635 1/20 0.75
MAPT P10636 1/20 0.75
CYP2C19 P33261 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
ABCC4 O15439 1/20 0.68
MLNR O43193 1/20 0.68
ABCB11 O95342 1/20 0.68
CHRM2 P08172 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
DRD1 P21728 1/20 0.68
TBXA2R P21731 1/20 0.68

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
SCHEMBL3825752 0.95 CNR1 (1.00) CNR1CNR2CYP2C9GPR55LMNA
SCHEMBL4612839 0.93 CNR1 (0.91) CNR1CNR2CYP2C9GPR55LMNA
SCHEMBL5345390 0.92 CNR1 (1.00) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL10171053 0.91 CNR1 (1.00) CNR1CNR2CYP2C9GPR55LMNA
SCHEMBL10171712 0.90 CNR1 (0.82) CNR1CNR2CYP2C9GPR55LMNA
Jhu-75528 SCHEMBL31038583 0.90 CNR1 (1.00) CNR1CNR2CYP2C9GPR55ABCC4
SCHEMBL660638 0.87 CNR1 (0.80) CNR1CNR2CYP2C9GPR55LMNA
SCHEMBL29386088 0.86 CNR1 (1.00) CNR1CNR2CYP2C9GPR55LMNA
SCHEMBL1040316 0.86 CNR1 (1.00) CNR1CNR2CYP2C9GPR55LMNA
SCHEMBL4612148 0.85 CNR1 (0.80) CNR1CNR2CYP2C9GPR55ABCC4

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 3 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
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 2/4885CYP2C9 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.