SCHEMBL4914337

SCHEMBL4914337

[CH2]C(=O)N1CCN(CCCCC)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.48
GNAO1 P09471 3/20 0.48
GNAI1 P63096 3/20 0.48
CHRM3 P20309 1/20 0.44
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
PAOX Q6QHF9 1/20 0.42
GPR183 P32249 1/20 0.41
STS P08842 3/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
KCNH2 Q12809 1/20 0.41
USP2 O75604 1/20 0.41
BCHE P06276 1/20 0.41
PLA2G2A P14555 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL4902288 0.98 GNAI3 (0.52) GNAI3GNAO1GNAI1CHRM3S1PR1
SCHEMBL4910222 0.94 GPR183 (0.46) GNAI3GNAO1GNAI1CHRM3S1PR1
SCHEMBL4910788 0.86 HRH3 (0.43)
SCHEMBL4914342 0.82 GNAI3 (0.50) GNAI3GNAO1GNAI1PAOXUSP2
SCHEMBL29086855 0.81 GNAI3 (0.53) GNAI3GNAO1GNAI1CHRM3S1PR1
SCHEMBL11871252 0.81 GNAI3 (0.53) GNAI3GNAO1GNAI1CHRM3S1PR1
SCHEMBL19865695 0.81 GNAI3 (0.53) GNAI3GNAO1GNAI1PAOX
SCHEMBL11063714 0.81 GNAI3 (0.48) GNAI3GNAO1GNAI1CHRM3S1PR1
SCHEMBL22521105 0.81 HRH2 (0.56) GNAI3GNAO1GNAI1CHRM3S1PR1
SCHEMBL4902299 0.81 GNAI3 (0.53) GNAI3GNAO1GNAI1PAOX

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 GNAI3 1131/4885GNAO1 1472/4885GNAI1 988/4885

“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.