SCHEMBL14664156

SCHEMBL14664156

CN(C)C(Cc1ccc(Br)cc1)C(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 2/20 0.44
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL14519751 0.83 MAPT (0.55) OPRM1OPRD1KMT2AMEN1ALDH1A1
SCHEMBL8910360 0.83 MAPT (0.55) OPRM1OPRD1KMT2AMEN1ALDH1A1
SCHEMBL4745249 0.81 ACACB (0.44) MMEOPRM1OPRD1KMT2AMEN1
SCHEMBL21447175 0.80 EPHX1 (0.49) MMEOPRM1OPRD1KMT2AMEN1
SCHEMBL21447451 0.80 EPHX1 (0.49) MMEOPRM1OPRD1KMT2AMEN1
SCHEMBL14665171 0.79 MME (0.41) MMEOPRM1OPRD1KMT2AMEN1
SCHEMBL12194019 0.77 MME (0.47) MMEKMT2AMEN1NPC1RAB9A
SCHEMBL20363249 0.75 MAOB (0.57) —
SCHEMBL23065772 0.73 HDAC1 (0.45) MMECTSSCTSKKMT2AMEN1
SCHEMBL1706858 0.73 ESR1 (0.42) OPRM1OPRD1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 MME 704/4885OPRM1 3204/4885OPRD1 3686/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 MME 704/4885OPRM1 3204/4885OPRD1 3686/4885

“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.

Send feedback