SCHEMBL14685178

SCHEMBL14685178

Cc1c(C2CC2)nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 6/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
PDE10A Q9Y233 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
MCHR1 Q99705 6/20 0.44
ADORA1 P30542 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL14685221 0.93 ADORA1 (0.47) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL14685216 0.93 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL17254592 0.80 PDE10A (0.53) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL16748032 0.79 KDM4E (0.46) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL6478572 0.79 KDM4E (0.46) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL14276770 0.76 ALDH1A1 (0.50) ALDH1A1TSHRMAPTGAAHSD17B10
SCHEMBL14685293 0.76 CYP11B1 (0.49) ALDH1A1TSHRPDE10AMCHR1
SCHEMBL19822941 0.76 PDE10A (0.47) ALDH1A1TSHRKDM4ENPC1MAPT
SCHEMBL14685287 0.76 MCHR1 (0.43) ALDH1A1TSHRPDE10AMCHR1
SCHEMBL15782112 0.75 CYP11B1 (0.46) ALDH1A1KDM4ENPC1MAPTRAB9A

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
EP-2919783-B1 CYCLOPROPYL IMIDAZOPYRIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-01-31 EP disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
WO-2013018899-A1 DIBENZOOXEPIN DERIVATIVE 協和発酵キリン株式会社 (JP) 2013-02-07 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-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD ALDH1A1 1394/4885TSHR 234/4885KDM4E 1605/4885

“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.