SCHEMBL15766752

SCHEMBL15766752

FC1(F)CC(c2nc3ccccc3[nH]2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
KMT2A Q03164 1/20 0.46
HTR2B P41595 5/20 0.46
PKM P14618 2/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCB11 O95342 1/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL702798 0.84 NPY5R (0.57) NPY5RKMT2AHTR2BPKMALDH1A1
SCHEMBL13050704 0.81 ALDH1A1 (0.46) NPY5RKMT2AHTR2BPKMNPC1
SCHEMBL13050232 0.81 ALDH1A1 (0.46) NPY5RKMT2AHTR2BPKMNPC1
SCHEMBL2276872 0.80 ALDH1A1 (0.59) NPY5RKMT2AHTR2BPKMNPC1
SCHEMBL20677809 0.80 ALDH1A1 (0.52) NPY5RKMT2AHTR2BPKMNPC1
Hydrochloric Acid SCHEMBL31596380 0.79 MAPT (0.57) NPY5RKMT2AHTR2BPKMNPC1
SCHEMBL2674802 0.77 HTR2B (0.55) NPY5RKMT2AHTR2BNPC1RAB9A
SCHEMBL1298956 0.77 PARP1 (0.50) NPY5RKMT2AHTR2BPKMNPC1
SCHEMBL6756134 0.77 NPC1 (0.59) NPY5RKMT2AHTR2BNPC1RAB9A
SCHEMBL2491349 0.77 HTR2B (0.49) NPY5RKMT2AHTR2BPKMNPC1

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 NPY5R 436/4885KMT2A 1328/4885HTR2B 1867/4885

“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.