SCHEMBL14960971

SCHEMBL14960971

CCCc1c[nH]c2ccc(C)nc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CCR1 P32246 1/20 0.38
RAB9A P51151 1/20 0.38
CCR5 P51681 1/20 0.38
MPO P05164 7/20 0.37
HTR2A P28223 5/20 0.35
HTR1D P28221 3/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GRM5 P41594 1/20 0.34
HTR1A P08908 2/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL18820485 0.86 CCR1 (0.40) MTNR1AMTNR1BCCR1RAB9ACCR5
SCHEMBL14960978 0.85 HTR2A (0.51) MPOHTR2AHTR1DHTR1AHTR1B
SCHEMBL14961090 0.82 MPO (0.52) MTNR1AMTNR1BMPOHTR2AHTR1D
SCHEMBL23535555 0.81 MTNR1A (0.40) MTNR1AMTNR1BMPOHTR2AHTR1D
SCHEMBL29920103 0.81 MTNR1A (0.40) MTNR1AMTNR1BMPOHTR2AHTR1D
SCHEMBL14961107 0.81 MTNR1A (0.43) MTNR1AMTNR1BMPOHTR2AHTR1D
SCHEMBL22643887 0.79 MTNR1A (0.39) MTNR1AMTNR1BMPOHTR2AHTR1D
SCHEMBL19701183 0.78 CCR1 (0.36) MTNR1AMTNR1BCCR1RAB9ACCR5
SCHEMBL12565429 0.78 ADORA2A (0.40) MTNR1AMTNR1BCCR1RAB9ACCR5
SCHEMBL19701184 0.78 ALDH1A1 (0.47) MTNR1AMTNR1BCCR1RAB9ACCR5

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 3 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-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

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 782/4885CCR1 1332/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC MTNR1A 570/4885MTNR1B 782/4885CCR1 1332/4885

“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.