SCHEMBL10079573

SCHEMBL10079573

Cc1ccncc1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.55
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CYP17A1 P05093 4/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HTR2C P28335 2/20 0.38
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL21757517 0.92 OPRL1 (0.49) OPRL1CHRNB2CHRNA4CYP11B2HTR2C
SCHEMBL21757505 0.90 OPRL1 (0.48) OPRL1CHRNB2CHRNA4CYP11B2
SCHEMBL21757521 0.90 OPRL1 (0.48) OPRL1CHRNB2CHRNA4CYP11B2
Hydrochloric Acid SCHEMBL28413629 0.89 OPRL1 (0.48) OPRL1CHRNB2CHRNA4CYP17A1CYP11B1
SCHEMBL23974564 0.83 OPRL1 (0.60) OPRL1CHRNB2CHRNA4IDO1
SCHEMBL16132536 0.83 OPRL1 (0.57) OPRL1CYP17A1HTR2CIDO1
SCHEMBL29889741 0.80 HTR2C (0.46) OPRL1HTR2C
SCHEMBL13347725 0.76 OPRL1 (0.52) OPRL1CYP17A1IDO1
SCHEMBL14614990 0.75 CYP11B1 (0.46) OPRL1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL14615235 0.75 CYP11B1 (0.46) OPRL1CHRNB2CHRNA4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11285135-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2022-03-29 US disclosed
US-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2020-03-05 US disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
WO-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 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 (4 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-20200069657-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS OPRL1 4725/4885CHRNB2 4687/4885CHRNA4 4864/4885
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 OPRL1 3907/4885CHRNB2 2465/4885CHRNA4 2237/4885
US-11285135-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS OPRL1 4692/4885CHRNB2 4744/4885CHRNA4 4869/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 OPRL1 3907/4885CHRNB2 2465/4885CHRNA4 2237/4885

“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.