SCHEMBL12110414

SCHEMBL12110414

BN1CCc2cc(OCC(=O)O)c(NC(C)=O)cc2C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ PTPRB P23467 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ PPARG P37231 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ TBXA2R P21731 1/20 0.32

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
SCHEMBL11160043 0.66 BRD4 (0.46) —
SCHEMBL13928815 0.63 MAOA (0.53) HPGDSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL9199114 0.62 HPGD (0.43) GAAHPGDPTPRBHSD17B10NPC1
SCHEMBL13603790 0.62 TDP1 (0.62) HSD17B10SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL9197891 0.62 PKM (0.54) HPGDPTPRBHSD17B10SMN1; SMN2POLB
SCHEMBL7360102 0.61 BRD4 (0.69) GAAHPGDHSD17B10SMN1; SMN2NPC1
SCHEMBL9196201 0.59 ALDH1A1 (0.48) GAAHPGDPTPRBHSD17B10SMN1; SMN2
SCHEMBL2464475 0.59 ALDH1A1 (0.46) GAAHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL12110145 0.58 CHRM1 (0.35) —
SCHEMBL12110391 0.58 GRIN1 (0.34) —

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 GAA 1573/4885HPGD 2351/4885PTPRB 4671/4885

“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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