SCHEMBL8922757

SCHEMBL8922757

CC[C@@H](c1ccccc1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.66
CYP2C19 P33261 6/20 0.66
CYP3A4 P08684 5/20 0.66
CYP2D6 P10635 5/20 0.66
TSHR P16473 1/20 0.66
CYP2C9 P11712 5/20 0.62
KCNA5 P22460 4/20 0.62
KCNH2 Q12809 4/20 0.62
KCNE1 P15382 1/20 0.62
OPRD1 P41143 4/20 0.59
OPRM1 P35372 3/20 0.59
OPRK1 P41145 3/20 0.59
OPRL1 P41146 3/20 0.59
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 1/20 0.54
MC4R P32245 3/20 0.49
GAA P10253 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
SLC6A2 P23975 1/20 0.46

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
SCHEMBL4334322 1.00 CYP1A2 (0.66) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL8916036 0.98 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL1964502 0.98 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL30364119 0.94 OPRM1 (0.61) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL30363975 0.94 OPRM1 (0.61) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL2962625 0.90 OPRM1 (0.65) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL113896 0.85 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL10601133 0.85 CYP1A2 (0.62) CYP1A2CYP2C19CYP3A4CYP2D6TSHR
SCHEMBL3246700 0.83 SLC6A4 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL10598753 0.83 OPRM1 (0.63) CYP1A2CYP2C19CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8242156-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 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 (8 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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS CYP1A2 149/4885CYP2C19 190/4885CYP3A4 71/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP1A2 175/4885CYP2C19 180/4885CYP3A4 56/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 CYP1A2 205/4885CYP2C19 418/4885CYP3A4 204/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP1A2 175/4885CYP2C19 180/4885CYP3A4 56/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP1A2 390/4885CYP2C19 392/4885CYP3A4 138/4885
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CYP1A2 240/4885CYP2C19 431/4885CYP3A4 136/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 CYP1A2 390/4885CYP2C19 392/4885CYP3A4 138/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 CYP1A2 278/4885CYP2C19 210/4885CYP3A4 87/4885

“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.