SCHEMBL2214776

SCHEMBL2214776

NCC1Cc2ccccc2C1O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.46
HTR2C P28335 9/20 0.46
RET P07949 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 8/20 0.43
BLM P54132 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM1A O60341 3/20 0.39

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
SCHEMBL4666507 0.82 BLM (0.43) BLMTSHRKDM1A
SCHEMBL17539095 0.82 BLM (0.43) BLMTSHRKDM1A
SCHEMBL10649459 0.81 HTR2A (0.52) HTR2AHTR2CRETHRH1HTR2B
SCHEMBL24821521 0.81 BLM (0.42) BLMTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL11768481 0.79 BLM (0.44) HTR2AHRH1BLMTSHRSLC6A4
SCHEMBL9422155 0.78 OPRM1 (0.42) BLMTSHR
SCHEMBL7249193 0.78 LTB4R (0.55) BLMTSHR
SCHEMBL31558346 0.78 LTB4R (0.55) BLMTSHR
SCHEMBL2820186 0.77 HTR2A (0.46) HTR2AHTR2CRETHRH1HTR2B
SCHEMBL2820183 0.77 HTR2A (0.46) HTR2AHTR2CRETHRH1HTR2B

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-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
EP-2342178-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF Sanofi-Aventis (FR) 2011-07-13 EP disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 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-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, PKD1 HTR2A 1240/4885HTR2C 872/4885RET 2297/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI HTR2A 1230/4885HTR2C 897/4885RET 2270/4885

“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.