SCHEMBL17907296

SCHEMBL17907296

CCc1cc(Br)cc(C)c1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 1/20 0.33
PYCR1 P32322 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10615572 0.89 GABRA1 (0.59) GABRA1GABRB2
SCHEMBL1457513 0.85 CYP3A4 (0.39) GABRA1GABRB2TRPA1CYP3A4
SCHEMBL27550639 0.81 GABRA1 (0.50) GABRA1GABRB2TRPA1CYP3A4
SCHEMBL10614885 0.81 GABRA1 (0.50) GABRA1GABRB2PYCR1
SCHEMBL28306014 0.80 GABRA1 (0.48) GABRA1GABRB2TRPA1CYP3A4
SCHEMBL693019 0.79 GABRA1 (0.47) GABRA1GABRB2TRPA1CYP3A4
SCHEMBL28150572 0.78 GABRA1 (0.50) GABRA1GABRB2TRPA1CYP3A4ALDH1A1
SCHEMBL408440 0.76 GABRA1 (0.48) GABRA1GABRB2TRPA1CYP3A4
SCHEMBL17027567 0.76 GABRA1 (0.36) GABRA1GABRB2TRPA1CYP3A4
SCHEMBL29648901 0.76 GABRA1 (0.36) GABRA1GABRB2TRPA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 EP disclosed
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 EP disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
US-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2016-09-22 US disclosed
EP-3042907-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Medshine Discovery Inc. (CN) 2016-07-13 EP 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-20160272651-A1 DGAT1 Inhibitor and Preparation Method and Use Thereof DGAT1, DGAT2, LCAT GABRA1 4464/4885GABRB2 4576/4885TRPA1 4143/4885

“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.