SCHEMBL430674

SCHEMBL430674

NCC1CCc2ccccc2N1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.61
MTNR1B P49286 2/20 0.60
POLB P06746 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
XIAP P98170 1/20 0.40
HTR1A P08908 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL4553401 0.97 MTNR1A (0.58) MTNR1AMTNR1BPOLBHDAC1HDAC2
Lithium Ion SCHEMBL4553399 0.96 MTNR1A (0.57) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL10688284 0.86 MTNR1A (0.62) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL431428 0.81 HDAC3 (0.45) MTNR1AMTNR1BHDAC1HDAC2HDAC10
SCHEMBL28422916 0.79 MTNR1A (0.58) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL9456538 0.78 TP53 (0.45) MTNR1AMTNR1B
SCHEMBL22262519 0.78 MTNR1A (0.56) MTNR1AMTNR1BPOLB
SCHEMBL22262517 0.78 MTNR1A (0.56) MTNR1AMTNR1BPOLB
SCHEMBL29659985 0.78 MTNR1A (0.56) MTNR1AMTNR1BPOLB
SCHEMBL28279782 0.78 MTNR1A (0.53) MTNR1AMTNR1BPOLBHDAC1HDAC2

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
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
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 MTNR1A 59/4885MTNR1B 98/4885POLB 4834/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 48/4885MTNR1B 92/4885POLB 4821/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 MTNR1A 59/4885MTNR1B 98/4885POLB 4834/4885

“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.