SCHEMBL4940460

SCHEMBL4940460

Cn1c(N2CCCCC2)nc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL14685207 0.98 HSD11B1 (0.60) HSD11B1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14685202 0.95 HSD11B1 (0.60) HSD11B1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8776022 0.86 HSD11B1 (0.62) HSD11B1
SCHEMBL6777038 0.84 HTR3A (0.58) HSD11B1
SCHEMBL2709699 0.83 HTR3A (0.63) HSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL29689100 0.81 HTR3A (0.62) HSD11B1MEN1KMT2A
SCHEMBL16649554 0.80 KMT2A (0.68) KMT2ASMN1; SMN2ALDH1A1NPSR1LMNA
SCHEMBL7427136 0.79 HSD11B1 (0.56) HSD11B1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4428154 0.78 HSD11B1 (0.58) HSD11B1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20919483 0.78 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1NPSR1

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
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
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 HSD11B1 2818/4885MEN1 847/4885KMT2A 3751/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD HSD11B1 166/4885MEN1 4518/4885KMT2A 1328/4885

“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.