SCHEMBL431492

SCHEMBL431492

COC(=O)C1CCc2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.41
▸ CFTR P13569 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ HTR2C P28335 4/20 0.37
▸ HTR2B P41595 4/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ GUSB P08236 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOTUM Q6P988 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
SCHEMBL27829323 0.86 CFTR (0.40) CFTRHTR2CHTR2BHTR2AGUSB
SCHEMBL21465746 0.81 IGF1R (0.41) IGF1RKMT2A
SCHEMBL16564686 0.80 GAA (0.46) IGF1R
SCHEMBL30358020 0.80 IGF1R (0.40) IGF1RKMT2A
SCHEMBL8567081 0.77 SMYD3 (0.56) IGF1RHTR2CHTR2AKMT2A
SCHEMBL926907 0.77 SMYD3 (0.56) IGF1RHTR2CHTR2AKMT2A
SCHEMBL7433964 0.77 SMYD3 (0.56) IGF1RHTR2CHTR2AKMT2A
SCHEMBL30357995 0.77 SMYD3 (0.56) IGF1RHTR2CHTR2AKMT2A
SCHEMBL18197243 0.77 GAA (0.43) IGF1RKMT2A
SCHEMBL21465791 0.76 IGF1R (0.39) IGF1RKMT2A

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 TRPV1 1/4885CFTR 1391/4885IGF1R 1053/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885CFTR 1341/4885IGF1R 1050/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TRPV1 1/4885CFTR 1391/4885IGF1R 1053/4885

“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.

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