SCHEMBL429127

SCHEMBL429127

CN1c2cc(C(F)(F)F)ccc2CCC1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
SRD5A1 P18405 1/20 0.43
TRPV1 Q8NER1 4/20 0.42
NOTUM Q6P988 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 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 SCHEMBL4438526 0.99 CNR2 (0.43) CNR2SRD5A1TRPV1NOTUMHDAC3
SCHEMBL431484 0.85 TRPV1 (0.43) CNR2SRD5A1TRPV1NOTUMHDAC3
SCHEMBL429270 0.77 HDAC3 (0.50) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL28780022 0.77 NOTUM (0.43) CNR2SRD5A1TRPV1NOTUMHDAC3
Ammonia Solution, Strong SCHEMBL4552719 0.77 HDAC3 (0.49) HDAC3HDAC1HDAC7HDAC2HDAC10
SCHEMBL432288 0.76 MTNR1A (0.53) NOTUMMAPTGAA
SCHEMBL431259 0.76 SRD5A1 (0.41) CNR2SRD5A1TRPV1NOTUMHDAC3
SCHEMBL27760761 0.74 SRD5A1 (0.42) CNR2SRD5A1TRPV1NOTUMHDAC3
SCHEMBL3113512 0.71 MTNR1A (0.35)
SCHEMBL3113867 0.69 MTNR1A (0.35)

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
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 CNR2 24/4885SRD5A1 1547/4885TRPV1 1/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 CNR2 25/4885SRD5A1 1461/4885TRPV1 1/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 CNR2 24/4885SRD5A1 1547/4885TRPV1 1/4885

“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.