SCHEMBL14907368

SCHEMBL14907368

CCCCCCCCCOc1cccc2[nH]cc(CCN)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.65
HTR1B P28222 10/20 0.56
HTR1A P08908 9/20 0.56
HTR1D P28221 8/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SSTR2 P30874 1/20 0.52
SSTR4 P31391 1/20 0.52
HTR2C P28335 1/20 0.51

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
SCHEMBL17211929 1.00 HTR2A (0.65) HTR2AHTR1BHTR1AHTR1DMAPT
Hydrochloric Acid SCHEMBL14893171 0.99 HTR2A (0.64) HTR2AHTR1BHTR1AHTR1DMAPT
SCHEMBL14907357 0.95 HTR2A (0.68) HTR2AHTR1BHTR1AHTR1DMAPT
SCHEMBL14961122 0.91 HTR2A (0.70) HTR2AHTR1BHTR1AHTR1DMAPT
SCHEMBL17211924 0.91 HTR2A (0.51) HTR2AHTR1BHTR1AHTR1DMAPT
SCHEMBL14961082 0.91 HTR2A (0.51) HTR2AHTR1BHTR1AHTR1DMAPT
SCHEMBL14961154 0.85 HTR2A (0.54) HTR2AHTR1BHTR1AHTR1DCYP1A2
SCHEMBL14907378 0.85 HTR6 (0.67) HTR2AHTR1BHTR1AHTR1DSSTR2
SCHEMBL14907380 0.85 HTR6 (0.67) HTR2AHTR1BHTR1AHTR1DSSTR2
SCHEMBL14961008 0.81 HTR2A (0.55) HTR2AHTR1BHTR1AHTR1DHTR2C

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 HTR2A 94/4885HTR1B 435/4885HTR1A 152/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC HTR2A 94/4885HTR1B 435/4885HTR1A 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.