SCHEMBL10248424

SCHEMBL10248424

N#CC1COc2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
LTA4H P09960 2/20 0.42
SIGMAR1 Q99720 2/20 0.39
HTR1A P08908 1/20 0.38
OXTR P30559 1/20 0.36
MAOB P27338 3/20 0.36
TP53 P04637 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL97626 0.81 NISCH (0.42) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL6452709 0.81 NISCH (0.42) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL29539739 0.75 IDO1 (0.41)
SCHEMBL1415621 0.75 IDO1 (0.41)
SCHEMBL25079073 0.75 LTA4H (0.40) NISCHLTA4HSIGMAR1HTR1AOPRM1
SCHEMBL5858925 0.74 SIGMAR1 (0.49) NISCHSIGMAR1HTR1ATP53OPRM1
Water SCHEMBL27491170 0.73 NISCH (0.44) NISCHSIGMAR1HTR1AOXTRMAOB
SCHEMBL5228834 0.73 MTNR1A (0.53) TP53
SCHEMBL7202127 0.71 MTNR1A (0.47)
SCHEMBL14395682 0.71 NISCH (0.45) NISCHSIGMAR1HTR1AOXTRMAOB

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 5 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
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 NISCH 1428/4885LTA4H 439/4885SIGMAR1 387/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 NISCH 1418/4885LTA4H 547/4885SIGMAR1 384/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 NISCH 1428/4885LTA4H 439/4885SIGMAR1 387/4885

“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.