SCHEMBL2272087

SCHEMBL2272087

CN(C)c1cccc(C2=CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.60
SIGMAR1 Q99720 2/20 0.59
QDPR P09417 3/20 0.50
HTR6 P50406 3/20 0.44
HTR7 P34969 1/20 0.44
HTR2A P28223 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.40

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
SCHEMBL30431801 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4790435 0.79 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7
Hydrochloric Acid SCHEMBL9311920 0.78 HTR2C (0.67) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL4791120 0.77 SIGMAR1 (0.79) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL30796867 0.76 DDB1 (0.57) HTR2CSIGMAR1QDPR
SCHEMBL4510248 0.76 HTR2C (1.00) HTR2CSIGMAR1QDPRHTR6HTR7
Hydrochloric Acid SCHEMBL4793458 0.76 HTR2C (0.79) HTR2CSIGMAR1QDPRHTR6HTR7
SCHEMBL29914651 0.76 HTR2C (0.66) HTR2CSIGMAR1QDPRPIK3CD
SCHEMBL21228136 0.76 HTR2C (0.66) HTR2CSIGMAR1QDPRPIK3CD
SCHEMBL904011 0.76 HTR2C (0.66) HTR2CSIGMAR1QDPRHTR6HTR7

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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 (1 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 HTR2C 1793/4885SIGMAR1 3731/4885QDPR 658/4885

“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.