SCHEMBL431259

SCHEMBL431259

CN1c2cc(C(F)(F)F)ccc2CCC1CN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.41
RORC P51449 1/20 0.39
FFAR1 O14842 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HTR2A P28223 4/20 0.38
HTR2C P28335 4/20 0.38
HTR2B P41595 4/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
SLC6A2 P23975 1/20 0.36

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
SCHEMBL431428 0.77 HDAC3 (0.45) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL21706780 0.76 SRD5A1 (0.45) SRD5A1RORCTRPV1NOTUM
SCHEMBL27760761 0.76 SRD5A1 (0.42) SRD5A1FFAR1HDAC3HDAC1HDAC7
SCHEMBL429127 0.76 CNR2 (0.44) SRD5A1FFAR1HDAC3HDAC1HDAC7
Ammonia Solution, Strong SCHEMBL4438526 0.75 CNR2 (0.43) SRD5A1FFAR1HDAC3HDAC1HDAC7
Lithium Ion SCHEMBL4428201 0.74 HDAC3 (0.43) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL431801 0.74 MTNR1A (0.56) HTR2AHTR2CHTR2BSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6445199 0.73 MTNR1A (0.55) HTR2ASLC6A2
SCHEMBL4553781 0.72 MTNR1A (0.53) HTR2A
SCHEMBL431484 0.71 TRPV1 (0.43) SRD5A1FFAR1HDAC3HDAC1HDAC7

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 8 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
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO 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 SRD5A1 1547/4885RORC 2114/4885FFAR1 198/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SRD5A1 1461/4885RORC 1298/4885FFAR1 211/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 SRD5A1 1547/4885RORC 2114/4885FFAR1 198/4885

“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.