SCHEMBL3607138

SCHEMBL3607138

O=C(Cc1csc(N(Cc2cccnc2)C(=O)O)n1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.65
DRD4 P21917 1/20 0.49
CXCR4 P61073 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL3600139 0.81 GSTO1 (0.52)
SCHEMBL3614294 0.79 GSTO1 (0.50)
SCHEMBL13316886 0.79 SIGMAR1 (0.62) SIGMAR1DRD4CXCR4CHRM2CHRM1
SCHEMBL3601049 0.77 GSTO1 (0.48)
SCHEMBL3615351 0.76 GSTO1 (0.47)
SCHEMBL5592604 0.76 SIGMAR1 (0.62) SIGMAR1
SCHEMBL3609508 0.76 GSTO1 (0.47)
SCHEMBL3604447 0.75 GSTO1 (0.42)
SCHEMBL3603373 0.75 ALDH1A1 (0.46)
SCHEMBL3610003 0.74 GSTO1 (0.53)

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 SIGMAR1 1974/4885DRD4 1864/4885CXCR4 895/4885

“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.