SCHEMBL14685293

SCHEMBL14685293

Cc1c(C2CC2)nc2cc(F)ccn12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
MCHR1 Q99705 14/20 0.43
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL14685177 0.85 CYP11B1 (0.42) CYP11B1CYP11B2MCHR1
SCHEMBL14685287 0.81 MCHR1 (0.43) MCHR1PDE10AALDH1A1LMNATSHR
SCHEMBL14685307 0.79 PDE10A (0.51) MCHR1PDE10A
SCHEMBL14685181 0.78 PDE10A (0.36) CYP11B2MCHR1PDE10AALDH1A1LMNA
SCHEMBL22145958 0.76 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1LMNATSHR
SCHEMBL14685288 0.76 MCHR1 (0.54) CYP11B1CYP11B2MCHR1
SCHEMBL14685178 0.76 ALDH1A1 (0.47) MCHR1PDE10AALDH1A1TSHR
SCHEMBL17237853 0.74 PDE10A (0.52) CYP11B1CYP11B2PDE10AALDH1A1
SCHEMBL16160312 0.71 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1
SCHEMBL14685158 0.71 GAA (0.40) CYP11B1CYP11B2MCHR1ALDH1A1LMNA

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 5 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-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
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 CYP11B1 250/4885CYP11B2 175/4885MCHR1 3001/4885

“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.