SCHEMBL14907378

SCHEMBL14907378

CCCCCCCCCCCCOc1cccc2[nH]cc(CCN(C)C)c12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.67
HTR2A P28223 9/20 0.65
HTR1A P08908 7/20 0.59
HTR2C P28335 5/20 0.59
HTR2B P41595 5/20 0.59
HTR1B P28222 3/20 0.58
HTR1D P28221 2/20 0.58
DRD1 P21728 1/20 0.55
HTR1E P28566 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA2B P29275 1/20 0.55
HTR7 P34969 1/20 0.55
DRD3 P35462 1/20 0.55
HTR5A P47898 1/20 0.55
SLC6A4 P31645 2/20 0.50
HTR1F P30939 1/20 0.45
SLC6A2 P23975 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42

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
SCHEMBL14907380 1.00 HTR6 (0.67) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL12596305 0.95 HTR6 (0.70) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL14961128 0.91 HTR6 (0.71) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL17211924 0.89 HTR2A (0.51) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL14961082 0.89 HTR2A (0.51) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL17211929 0.85 HTR2A (0.65) HTR6HTR2AHTR1AHTR2CHTR1B
SCHEMBL14907368 0.85 HTR2A (0.65) HTR6HTR2AHTR1AHTR2CHTR1B
SCHEMBL26307597 0.85 HTR2A (0.66) HTR6HTR2AHTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL14893171 0.84 HTR2A (0.64) HTR6HTR2AHTR1AHTR2CHTR1B
SCHEMBL26646464 0.83 HTR2A (0.65) HTR6HTR2AHTR1AHTR2CHTR2B

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 HTR6 139/4885HTR2A 94/4885HTR1A 152/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC HTR6 139/4885HTR2A 94/4885HTR1A 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.