SCHEMBL12596305

SCHEMBL12596305

CCCCOc1cccc2[nH]cc(CCN(C)C)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.70
HTR2A P28223 10/20 0.68
HTR1A P08908 8/20 0.61
HTR2C P28335 6/20 0.61
HTR2B P41595 6/20 0.61
HTR1B P28222 4/20 0.58
HTR1D P28221 3/20 0.58
HTR1E P28566 2/20 0.58
HTR7 P34969 2/20 0.58
HTR5A P47898 2/20 0.58
DRD1 P21728 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
DRD3 P35462 1/20 0.58
SLC6A4 P31645 2/20 0.52
HTR1F P30939 2/20 0.47
SLC6A2 P23975 1/20 0.44
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL14907378 0.95 HTR6 (0.67) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL14907380 0.95 HTR6 (0.67) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL14961128 0.94 HTR6 (0.71) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL14961154 0.88 HTR2A (0.54) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL15678352 0.87 HTR2A (0.56) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL26307748 0.86 HTR6 (0.56) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL24168706 0.85 HTR2A (0.66) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL30249003 0.85 HTR2A (0.61) HTR6HTR2AHTR1AHTR2CHTR2B
SCHEMBL14907357 0.84 HTR2A (0.68) HTR6HTR2AHTR1AHTR2CHTR1B
SCHEMBL26323232 0.84 HTR2A (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 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
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 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 (3 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR6 12/4885HTR2A 34/4885HTR1A 38/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR6 12/4885HTR2A 34/4885HTR1A 38/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR6 12/4885HTR2A 34/4885HTR1A 38/4885

“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.