SCHEMBL15767650

SCHEMBL15767650

c1cc2[nH]c(C3CCC3)nc2cn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GFER P55789 1/20 0.47
HTR2B P41595 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL14447536 0.87 PARP1 (0.46) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL21174134 0.83 NPC1 (0.55) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL25881418 0.82 NPC1 (0.57) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL2674802 0.77 HTR2B (0.55) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL3706701 0.74 PARP1 (0.49) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL6756134 0.74 NPC1 (0.59) NPC1RAB9AMAPTKDM4EGFER
Hydrochloric Acid SCHEMBL3705755 0.73 PARP1 (0.48) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL724921 0.72 NPC1 (0.62) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL6757201 0.72 NPC1 (0.62) NPC1RAB9AMAPTKDM4EGFER
SCHEMBL15159431 0.71 NPC1 (0.52) NPC1RAB9AMAPTKDM4EGFER

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 4 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

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 NPC1 3607/4885RAB9A 3097/4885MAPT 4743/4885

“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.