SCHEMBL6492889

SCHEMBL6492889

Cn1c(C2(C)CC2)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ATM Q13315 1/20 0.49
KDM4E B2RXH2 7/20 0.46
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
PKM P14618 3/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
CASP6 P55212 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 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
SCHEMBL3969719 0.77 HTT (0.41) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL30792923 0.75 HSD11B1 (0.52) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL17995255 0.75 HSD11B1 (0.52) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL14895736 0.74 SMN1; SMN2 (0.44) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL12072888 0.74 KDM4E (0.59) SMN1; SMN2KDM4ENPC1ALDH1A1KMT2A
SCHEMBL6203789 0.73 ALDH1A1 (0.43) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL13376071 0.73 SMN1; SMN2 (0.42) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL6909402 0.73 ESR2 (0.54) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL30421147 0.72 OPRM1 (0.47) SMN1; SMN2ATMKDM4ERAB9ANPC1
SCHEMBL19093956 0.72 OPRM1 (0.47) SMN1; SMN2ATMKDM4ERAB9ANPC1

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 8 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
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 EP disclosed
WO-2013018899-A1 DIBENZOOXEPIN DERIVATIVE 協和発酵キリン株式会社 (JP) 2013-02-07 WO disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 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 (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 SMN1; SMN2 4784/4885ATM 3325/4885KDM4E 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.