SCHEMBL12110606

SCHEMBL12110606

BN1CCc2cc3c(c(Br)c2C(C)C1)N(CCOC)C(=O)CC3

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.30
▸ LMNA P02545 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
SCHEMBL12110081 0.84 CXCR3 (0.30) CXCR3
SCHEMBL12333012 0.82 ESR2 (0.35) —
SCHEMBL12110085 0.82 — —
SCHEMBL12110153 0.81 TDP1 (0.32) CXCR3LMNASMN1; SMN2
SCHEMBL12110145 0.78 CHRM1 (0.35) —
SCHEMBL12110391 0.75 GRIN1 (0.34) —
SCHEMBL14641847 0.74 TDP1 (0.32) CXCR3LMNASMN1; SMN2
SCHEMBL12107822 0.70 BACE1 (0.33) LMNASMN1; SMN2
SCHEMBL14562829 0.69 CHRM2 (0.32) —
SCHEMBL12332999 0.68 ESR2 (0.38) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 — — 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-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A CXCR3 2415/4885LMNA 1265/4885SMN1; SMN2 2030/4885

“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.

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