SCHEMBL496536

SCHEMBL496536

CN1C(C)(C)CC(Nc2cc(C(F)(F)F)ccc2C#N)CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
PRKCQ Q04759 6/20 0.38
PRKCD Q05655 5/20 0.38
AR P10275 6/20 0.37
ACACB O00763 1/20 0.36
CSNK2A2 P19784 2/20 0.35
CSNK2A1 P68400 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL22853404 0.73 TAS2R14 (0.43) TAS2R14PRKCQPRKCDAR
SCHEMBL17197622 0.71 TAS2R14 (0.52) TAS2R14AR
SCHEMBL24155090 0.71 TAS2R14 (0.40) TAS2R14PRKCQPRKCDAR
SCHEMBL25850487 0.71 TAS2R14 (0.40) TAS2R14PRKCQPRKCDAR
SCHEMBL22833433 0.70 TAS1R3 (0.44) TAS2R14AR
SCHEMBL22853405 0.70 TAS1R3 (0.44) TAS2R14AR
SCHEMBL30294636 0.70 TAS1R3 (0.44) TAS2R14AR
SCHEMBL495787 0.68 NOS2 (0.40)
SCHEMBL496028 0.68 TAS2R14 (0.42) TAS2R14AR
SCHEMBL496533 0.68 TAS2R14 (0.42) TAS2R14AR

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
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
CN-101312720-A 2-aminobenzamide derivative ASTELLAS PHARMA INC (JP) 2008-11-26 CN disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 PKM 4591/4885TAS2R14 607/4885PRKCQ 4776/4885

“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.