SCHEMBL14907359

SCHEMBL14907359

CCCCCCCCCC(=O)NCCc1c[nH]c2ccc(OC(=O)CCCCCCCCC)cc12

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.74
MTNR1B P49286 3/20 0.74
TRPV1 Q8NER1 7/20 0.72
HTR1A P08908 1/20 0.71
HTR1B P28222 1/20 0.71
FAAH O00519 1/20 0.59
PTGS2 P35354 1/20 0.59

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
SCHEMBL3806527 0.94 MTNR1A (0.68) MTNR1AMTNR1BTRPV1HTR1AHTR1B
SCHEMBL3815984 0.93 MTNR1A (0.75) MTNR1AMTNR1BTRPV1HTR1AHTR1B
SCHEMBL14907346 0.91 MTNR1A (0.67) MTNR1AMTNR1BTRPV1HTR1AHTR1B
SCHEMBL1129551 0.90 MTNR1A (0.92) MTNR1AMTNR1BTRPV1HTR1A
SCHEMBL7505689 0.90 MTNR1A (0.92) MTNR1AMTNR1BTRPV1HTR1A
SCHEMBL8571512 0.90 MTNR1A (0.92) MTNR1AMTNR1BTRPV1HTR1A
SCHEMBL14907361 0.89 MTNR1A (0.75) MTNR1AMTNR1BTRPV1HTR1AHTR1B
SCHEMBL14960996 0.87 MTNR1A (0.63) MTNR1AMTNR1BTRPV1HTR1AHTR1B
SCHEMBL1130207 0.86 TRPV1 (0.80) MTNR1AMTNR1BTRPV1FAAHPTGS2
SCHEMBL20648099 0.86 TRPV1 (0.80) MTNR1AMTNR1BTRPV1FAAHPTGS2

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-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2013063492-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-02 WO 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 (2 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-20150306077-A1 Novel Compositions and Methods for Treating Cancer HDGF, HCCS, CCNC MTNR1A 570/4885MTNR1B 782/4885TRPV1 2188/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC MTNR1A 570/4885MTNR1B 782/4885TRPV1 2188/4885

“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.