SCHEMBL1889616

SCHEMBL1889616

CC(C)c1cn2cccc(Cl)c2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.51
HTR4 Q13639 15/20 0.41
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10022339 0.81 NPC1 (0.54) PDE10AHTR4KDM4ENPC1ALDH1A1
SCHEMBL24371127 0.81 HTR4 (0.42) HTR4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL23571851 0.79 HTR4 (0.41) HTR4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL15767859 0.77 HTR4 (0.40) PDE10AHTR4KDM4ENPC1ALDH1A1
SCHEMBL27017631 0.77 HTR4 (0.45) HTR4KDM4EHSD17B10
SCHEMBL10426160 0.77 PDE10A (0.56) PDE10AKDM4ENPC1ALDH1A1RAB9A
SCHEMBL15754898 0.76 GRM5 (0.38) PDE10AHTR4KDM4ENPC1ALDH1A1
SCHEMBL1888808 0.76 HTR4 (0.39) HTR4
SCHEMBL2316889 0.76 HTR4 (0.44) HTR4KDM4ENPC1ALDH1A1RAB9A
SCHEMBL1889794 0.76 HTR4 (0.39) HTR4KDM4ENPC1ALDH1A1RAB9A

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-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-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
US-20110112135-A1 Imidazo [1,2-A] Pyridine Compounds WYETH LLC 2011-05-12 US disclosed
EP-2231660-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP disclosed
WO-2009086123-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS WYETH (US) 2009-07-09 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-20110112135-A1 Imidazo [1,2-A] Pyridine Compounds NR1H2, NR1H3, NR1H4 PDE10A 1623/4885HTR4 1232/4885KDM4E 1909/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD PDE10A 3316/4885HTR4 1663/4885KDM4E 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.