SCHEMBL14907352

SCHEMBL14907352

CCCCCCCCCCCCOc1ccc2[nH]cc(CCNC(C)=O)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.78
MTNR1B P49286 9/20 0.78
HTR1A P08908 9/20 0.72
HTR1D P28221 8/20 0.72
HTR1B P28222 8/20 0.72
TDP1 Q9NUW8 3/20 0.70
KDM4E B2RXH2 3/20 0.70
CYP1A2 P05177 3/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2D6 P10635 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 2/20 0.70
HPGD P15428 2/20 0.70
BLM P54132 2/20 0.70
NOTUM Q6P988 2/20 0.70
CYP1A1 P04798 1/20 0.70
MPO P05164 1/20 0.70
NQO2 P16083 1/20 0.70
HTR2B P41595 1/20 0.70

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
SCHEMBL14907331 1.00 MTNR1A (0.78) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL14907324 1.00 MTNR1A (0.78) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL14907323 1.00 MTNR1A (0.78) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL14907339 1.00 MTNR1A (0.78) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL14907338 1.00 MTNR1A (0.78) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL14907332 1.00 MTNR1A (0.78) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL7020360 0.94 MTNR1A (0.87) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL9327975 0.92 MTNR1A (0.83) MTNR1AMTNR1BHTR1AHTR1BTDP1
SCHEMBL31543741 0.92 MTNR1A (0.83) MTNR1AMTNR1BHTR1AHTR1BTDP1
SCHEMBL7017649 0.90 MTNR1A (0.87) MTNR1AMTNR1BHTR1AHTR1DHTR1B

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 782/4885HTR1A 152/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC MTNR1A 570/4885MTNR1B 782/4885HTR1A 152/4885

“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.