SCHEMBL7124917

SCHEMBL7124917

CS(=O)(=O)Nc1ccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 1/20 0.43
PANK3 Q9H999 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 2/20 0.41
CHRNA7 P36544 1/20 0.41
PTGIR P43119 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.37
EZH2 Q15910 1/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL7115057 0.90 HTT (0.44) HTTALDH1A1HPGDMAPTPANK3
SCHEMBL7122485 0.87 HTT (0.54) HTTALDH1A1HPGDPANK3SMN1; SMN2
SCHEMBL7125119 0.85 ALDH1A1 (0.48) HTTALDH1A1HPGDMAPTTSHR
SCHEMBL7117116 0.85 CHRNA7 (0.42) HTTMAPTKMT2ACHRNA7KDM4E
SCHEMBL7116048 0.84 HPGD (0.46) ALDH1A1HPGDCHRNA7LMNAEZH2
SCHEMBL7232460 0.84 HTT (0.39) HTTALDH1A1HPGDMAPTPANK3
SCHEMBL7127524 0.83 CHRNA7 (0.55) ALDH1A1HPGDSMN1; SMN2KMT2ACHRNA7
SCHEMBL7124385 0.83 CHRNA7 (0.44) CHRNA7EZH2
SCHEMBL7115015 0.83 CA2 (0.42) CHRNA7
SCHEMBL7123508 0.82 TRPV1 (0.44) ALDH1A1TSHRKMT2ACHRNA7RAB9A

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 HTT 2067/4885ALDH1A1 870/4885HPGD 1941/4885

“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.