SCHEMBL15975017

SCHEMBL15975017

CCCCCC1(O)OCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SIGMAR1 Q99720 11/20 0.41
EBP Q15125 1/20 0.38
TMEM97 Q5BJF2 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL22175918 0.73 SIGMAR1 (0.50) LMNASIGMAR1EBP
SCHEMBL11658380 0.72 SIGMAR1 (0.34) LMNASIGMAR1EBPTMEM97
SCHEMBL19259384 0.72 SIGMAR1 (0.52) LMNASIGMAR1EBPOPRM1OPRD1
SCHEMBL7782450 0.71 SIGMAR1 (0.51) LMNASIGMAR1EBP
SCHEMBL7788022 0.70 SIGMAR1 (0.54) LMNASIGMAR1EBPOPRM1OPRD1
SCHEMBL7782520 0.70 SIGMAR1 (0.54) LMNASIGMAR1EBPOPRM1OPRD1
SCHEMBL9419931 0.70 SLC6A4 (0.39) SIGMAR1
SCHEMBL7788011 0.70 SIGMAR1 (0.54) LMNASIGMAR1EBPOPRM1OPRD1
SCHEMBL27527195 0.70 SIGMAR1 (0.49) LMNASIGMAR1EBPOPRM1OPRD1
SCHEMBL3267624 0.69 KDM4E (0.47) LMNAOPRM1OPRD1OPRK1OPRL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 US disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 EP disclosed
US-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2016-05-12 US disclosed
EP-2958909-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 EP disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 US disclosed
WO-2014128067-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 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 (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-20160129011-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BRD4, BRDT, BICRA LMNA 1470/4885SIGMAR1 2458/4885EBP 81/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT LMNA 676/4885SIGMAR1 1451/4885EBP 222/4885

“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.