SCHEMBL4909100

SCHEMBL4909100

CC(CC[O])N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
SIGMAR1 Q99720 2/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A3 Q01959 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.30
HTR7 P34969 1/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL18855182 0.80 CHRM5 (0.36) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL3822012 0.80 SIGMAR1 (0.36) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL17916212 0.80 OPRL1 (0.40) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL27629556 0.78 SLC6A4 (0.32) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL22414139 0.78 SMN1; SMN2 (0.33) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL9801277 0.78 SLC6A4 (0.32) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL4260116 0.78 CHRM5 (0.35) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL5543241 0.78 CHRM5 (0.33) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL4236959 0.78 CHRM5 (0.33) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2
SCHEMBL5197504 0.77 MEN1 (0.33) CHRM5CHRM3SIGMAR1SLC6A4SLC6A2

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 CHRM5 851/4885CHRM3 857/4885SIGMAR1 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.