SCHEMBL15955985

SCHEMBL15955985

CC(c1ccncc1)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.51
TRPM8 Q7Z2W7 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
LTA4H P09960 3/20 0.50
PLA2G2A P14555 3/20 0.50
SLC6A4 P31645 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
KIF20A O95235 1/20 0.46
POLB P06746 1/20 0.46
IMPDH2 P12268 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
HTR1A P08908 2/20 0.43
HTR1B P28222 2/20 0.43
GAA P10253 1/20 0.43
GPR55 Q9Y2T6 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
SCHEMBL15956137 0.91 IMPDH2 (0.52) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL7085697 0.83 TRPM8 (0.60) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL19234918 0.81 TRPM8 (0.57) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL38657787 0.79 HTR1D (0.61) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL5260125 0.77 HTR1D (0.58) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL28273019 0.77 TRPM8 (0.58) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL11266559 0.77 TRPM8 (0.65) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL27370044 0.76 TRPM8 (0.52) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL8845884 0.76 HTR1D (0.49) HTR1DTRPM8KDM4EMAPTLTA4H
SCHEMBL15955987 0.76 TRPM8 (0.70) HTR1DTRPM8KDM4EMAPTLTA4H

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
EP-2956450-B1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE UNIV MUENCHEN TECH (DE) 2018-07-25 EP disclosed
US-9637471-B2 Hydroxyindalpine derivatives and their medical use TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2017-05-02 US disclosed
US-20150376164-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2015-12-31 US disclosed
EP-2956450-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE Technische Universität München (DE) 2015-12-23 EP disclosed
WO-2014125084-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE Technische Universität München (DE) 2014-08-21 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 (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-20150376164-A1 HYDROXYINDALPINE DERIVATIVES AND THEIR MEDICAL USE HTR5A, HTR4, HTR6 HTR1D 15/4885TRPM8 1064/4885KDM4E 2655/4885

“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.