SCHEMBL12075239

SCHEMBL12075239

O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc(-c2ccc3cc(Br)ccc3c2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 11/20 0.51
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
AADAT Q8N5Z0 1/20 0.43
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6126744 1.00 PRCP (0.51) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL205415 0.91 PRCP (0.55) PRCPOPRM1OPRD1NR1I2ABCB11
SCHEMBL12175006 0.91 PRCP (0.55) PRCPOPRM1OPRD1NR1I2ABCB11
SCHEMBL2708434 0.91 PRCP (0.55) PRCPOPRM1OPRD1NR1I2ABCB11
SCHEMBL15430185 0.88 PRCP (0.53) PRCPOPRM1OPRD1HCRTR1HCRTR2
SCHEMBL12174996 0.87 PRCP (0.61) PRCPOPRM1OPRD1NR1I2ABCB11
SCHEMBL12160053 0.87 PRCP (0.61) PRCPOPRM1OPRD1NR1I2ABCB11
SCHEMBL12160098 0.87 PRCP (0.61) PRCPOPRM1OPRD1NR1I2ABCB11
SCHEMBL7604141 0.87 PRCP (0.55) PRCPOPRM1OPRD1NR1I2ABCB11
SCHEMBL6126817 0.87 PRCP (0.55) PRCPOPRM1OPRD1NR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640719-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-05-10 EP disclosed
US-20160340344-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES JANSSEN SCIENCES IRELAND UC (IE) 2016-11-24 US disclosed
US-9433609-B2 Benzimidazole-imidazole derivatives JANSSEN SCIENCES IRELAND UC (IE) 2016-09-06 US disclosed
US-9427428-B2 Benzimidazole-imidazole derivatives JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-20140107172-A1 Benzimidazole-imidazole derivatives JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20120219594-A1 Benzimidazole-imidazole Derivatives JANSSEN SCIENCES IRELAND UC (IE) 2012-08-30 US disclosed
WO-2011054834-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES TIBOTEC PHARMACEUTICALS (IE) 2011-05-12 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 (3 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-20140107172-A1 Benzimidazole-imidazole derivatives HAVCR2, CBR3, ZC3HAV1 PRCP 2221/4885OPRM1 455/4885OPRD1 818/4885
US-20160340344-A1 BENZIMIDAZOLE-IMIDAZOLE DERIVATIVES HAVCR2, CBR3, ZC3HAV1 PRCP 2221/4885OPRM1 455/4885OPRD1 818/4885
US-20120219594-A1 Benzimidazole-imidazole Derivatives HAVCR2, CBR3, ZC3HAV1 PRCP 2221/4885OPRM1 455/4885OPRD1 818/4885

“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.