SCHEMBL429270

SCHEMBL429270

NC(=O)C1CCc2ccc(C(F)(F)F)cc2N1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
SIGMAR1 Q99720 4/20 0.43
MTNR1A P48039 7/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
S1PR1 P21453 1/20 0.41
GRK5 P34947 1/20 0.41
CDK8 P49336 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ACHE P22303 1/20 0.41
ATM Q13315 1/20 0.40
MTNR1B P49286 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL4552719 0.99 HDAC3 (0.49) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL429548 0.86 MTNR1A (0.50) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL428937 0.82 MTNR1A (0.58) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL431428 0.81 HDAC3 (0.45) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL27760888 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC7HDAC2HDAC10
Lithium Ion SCHEMBL4428201 0.78 HDAC3 (0.43) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL429127 0.77 CNR2 (0.44) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL27782422 0.77 HDAC3 (0.47) HDAC3HDAC1HDAC7HDAC2HDAC10
Ammonia Solution, Strong SCHEMBL4438526 0.76 CNR2 (0.43) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL6694328 0.74 MTNR1A (0.60) HDAC3HDAC1HDAC7HDAC2HDAC10

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 7 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
CN-101563318-A N- (5, 6, 7, 8-tetrahydronaphthalen-1-yl) urea derivatives and related compounds as trpv1 vanilloid receptor antagonists for the treatment of pain ABBOTT LAB (US) 2009-10-21 CN 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 HDAC3 1018/4885HDAC1 1058/4885HDAC7 2607/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HDAC3 997/4885HDAC1 1073/4885HDAC7 2582/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HDAC3 1018/4885HDAC1 1058/4885HDAC7 2607/4885

“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.