SCHEMBL4901803

SCHEMBL4901803

CCCN(C)CCC[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.38
KDM5A P29375 7/20 0.38
SIGMAR1 Q99720 1/20 0.37
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
GGPS1 O95749 1/20 0.32
FDPS P14324 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
PDE3A Q14432 1/20 0.32
CHRM2 P08172 1/20 0.32
LSS P48449 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
PHF8 Q9UPP1 2/20 0.30
KDM4A O75164 1/20 0.30

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
SCHEMBL4906955 0.85
SCHEMBL4904158 0.83
SCHEMBL10769544 0.80 KDM4E (0.34) SIGMAR1
SCHEMBL4901118 0.80 CA12 (0.32)
SCHEMBL7346446 0.77 S1PR2 (0.50) KDM4CKDM5AS1PR2S1PR1S1PR3
SCHEMBL10771066 0.76 KDM5A (0.39) KDM4CKDM5AS1PR2S1PR1S1PR3
SCHEMBL23945948 0.76 SIGMAR1 (0.46) KDM4CKDM5ASIGMAR1S1PR2S1PR1
SCHEMBL10774776 0.74 KDM4E (0.33) SIGMAR1S1PR2S1PR1S1PR3S1PR5
SCHEMBL1850341 0.74
SCHEMBL19672260 0.73 SIGMAR1 (0.56) KDM4CKDM5ASIGMAR1S1PR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 KDM4C 2813/4885KDM5A 1568/4885SIGMAR1 759/4885

“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.