SCHEMBL10246500

SCHEMBL10246500

NCC1CCc2ccccc2N1P

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
MTNR1A P48039 11/20 0.40
TSHR P16473 1/20 0.38
RET P07949 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CDK4 P11802 1/20 0.38
ALOX15 P16050 1/20 0.38
CCND1 P24385 1/20 0.38
KMT2A Q03164 1/20 0.38
MTNR1B P49286 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SRD5A1 P18405 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
SCHEMBL431801 0.79 MTNR1A (0.56) HTR2AMTNR1AMEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL6445199 0.78 MTNR1A (0.55) HTR2AMTNR1AMEN1USP2ALDH1A1
SCHEMBL4553781 0.77 MTNR1A (0.53) HTR2AMTNR1AMEN1USP2ALDH1A1
Lithium Ion SCHEMBL4553780 0.76 MTNR1A (0.52) HTR2AMTNR1AMEN1USP2ALDH1A1
SCHEMBL430674 0.74 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL4553401 0.72 MTNR1A (0.58) MTNR1AMTNR1B
Lithium Ion SCHEMBL4553399 0.71 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL10246733 0.70 TSHR (0.46) MTNR1ATSHRMEN1ALDH1A1ALOX15
SCHEMBL1981597 0.68 MTNR1A (0.44) MTNR1A
SCHEMBL19046964 0.67 MTNR1A (0.53) MTNR1ATSHRMEN1USP2ALDH1A1

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-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 HTR2A 197/4885MTNR1A 59/4885TSHR 535/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HTR2A 200/4885MTNR1A 48/4885TSHR 544/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HTR2A 197/4885MTNR1A 59/4885TSHR 535/4885

“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.