SCHEMBL13359079

SCHEMBL13359079

CCCN[C@H](CO)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.61
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CNR1 P21554 1/20 0.47
TRPA1 O75762 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MME P08473 1/20 0.43

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
SCHEMBL13359251 1.00 SIGMAR1 (0.61) SIGMAR1CYP3A4MAPK1CNR1TRPA1
Hydrochloric Acid SCHEMBL9249699 0.87 SIGMAR1 (0.67) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL5616415 0.85 SIGMAR1 (0.58) SIGMAR1CYP3A4MAPK1CNR1MEN1
SCHEMBL298619 0.85 CNR1 (0.54) SIGMAR1CYP3A4MAPK1CNR1TRPA1
SCHEMBL8438027 0.85 SIGMAR1 (0.58) SIGMAR1CYP3A4MAPK1TRPA1MEN1
SCHEMBL9393358 0.85 SIGMAR1 (0.58) SIGMAR1CYP3A4MAPK1TRPA1MEN1
SCHEMBL8367122 0.85 SIGMAR1 (0.58) SIGMAR1CYP3A4MAPK1TRPA1MEN1
SCHEMBL8976808 0.85 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
SCHEMBL19639848 0.84 SIGMAR1 (0.73) SIGMAR1CNR1MEN1KMT2AADRB1
SCHEMBL6024641 0.84 SIGMAR1 (0.73) SIGMAR1CNR1MEN1KMT2AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874739-B1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2010-05-26 EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 SIGMAR1 1093/4885CYP3A4 921/4885MAPK1 1289/4885

“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.