SCHEMBL431484

SCHEMBL431484

COC(=O)C1CCc2ccc(C(F)(F)F)cc2N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CNR2 P34972 1/20 0.42
SRD5A1 P18405 1/20 0.41
NOTUM Q6P988 1/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
XIAP P98170 2/20 0.40
BIRC2 Q13490 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL429127 0.85 CNR2 (0.44) TRPV1HDAC3HDAC1HDAC7HDAC2
Ammonia Solution, Strong SCHEMBL4438526 0.84 CNR2 (0.43) TRPV1HDAC3HDAC1HDAC7HDAC2
SCHEMBL21465831 0.82 KMT2A (0.41) KMT2A
SCHEMBL21465724 0.81 MTNR1A (0.47) HDAC1HDAC6HTR2C
SCHEMBL429548 0.80 MTNR1A (0.50) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL28780022 0.78 NOTUM (0.43) TRPV1HDAC3HDAC1HDAC7HDAC2
SCHEMBL17559114 0.77 MTNR1A (0.54) NOTUMMAPTMAPK1KMT2A
SCHEMBL27760761 0.75 SRD5A1 (0.42) TRPV1HDAC3HDAC1HDAC7HDAC2
SCHEMBL25026109 0.73 MAPT (0.41) HDAC8NOTUMMAPTKMT2A
SCHEMBL30934719 0.73 MAPT (0.41) HDAC8NOTUMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 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 (3 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885HDAC3 1018/4885HDAC1 1058/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885HDAC3 997/4885HDAC1 1073/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885HDAC3 1018/4885HDAC1 1058/4885

“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.