SCHEMBL14647148

SCHEMBL14647148

CN(C)CCOc1cc(F)ccc1Br

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.65
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR1B P28222 1/20 0.45
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
TDO2 P48775 1/20 0.42
UTS2R Q9UKP6 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 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
SCHEMBL23861170 0.83 HTR7 (0.64) HTR7CYP1A2CYP2D6CYP2C19HTR1B
SCHEMBL22831334 0.83 HTR7 (0.50) HTR7HTR1BDRD2DRD1DRD4
SCHEMBL15062039 0.81 KDM4E (0.51) HTR7CYP1A2CYP2D6CYP2C19HTR1B
SCHEMBL2859876 0.81 FFAR1 (0.46) HTR7CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL31641561 0.80 HTR7 (0.60) HTR7CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL7399293 0.80 HTR7 (0.60) HTR7CYP1A2CYP2D6CYP2C19HTR1B
SCHEMBL3322520 0.79 FFAR1 (0.44) HTR7CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL8297680 0.79 CYP1A2 (0.44) HTR7CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL10039708 0.79 FFAR1 (0.47) HTR7CYP1A2CYP2D6CYP2C19FFAR1
SCHEMBL31040072 0.79 FFAR1 (0.47) HTR7CYP1A2CYP2D6CYP2C19FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2733144-B1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-9062061-B2 Compound having PARP inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
US-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-08-28 US disclosed
EP-2733144-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2014-05-21 EP disclosed
WO-2013008872-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY 参天製薬株式会社 (JP) 2013-01-17 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-20140243320-A1 NOVEL COMPOUND HAVING PARP INHIBITORY ACTIVITY PARP1, PARP11, PARP2 HTR7 2320/4885CYP1A2 3168/4885CYP2D6 2279/4885

“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.