SCHEMBL7120638

SCHEMBL7120638

CC(=O)Nc1cc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)no1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
SLC6A4 P31645 6/20 0.34
SLC6A3 Q01959 5/20 0.34
SLC6A2 P23975 4/20 0.34
CHRNA7 P36544 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
EZH2 Q15910 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
ITGA5 P08648 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL7124866 0.87 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2CHRNA7EZH2
SCHEMBL7125031 0.87 NPC1 (0.37) ALDH1A1SLC6A4SLC6A3SLC6A2CHRNA7
SCHEMBL7115178 0.86 SLC6A4 (0.38) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL7115153 0.85 SLC6A3 (0.35) SLC6A4SLC6A3SLC6A2CHRNA7TRPV1
SCHEMBL7123917 0.83 HDAC4 (0.39) SLC6A4SLC6A3SLC6A2CHRNA7
SCHEMBL7113509 0.82 CHRNA7 (0.33) SLC6A4SLC6A3SLC6A2CHRNA7TRPV1
SCHEMBL7124856 0.82 EPHX2 (0.35) ALDH1A1PKMSLC6A4SLC6A3SLC6A2
SCHEMBL7121828 0.82 PAX8 (0.35) SLC6A4SLC6A3SLC6A2CHRNA7TRPV1
SCHEMBL7126672 0.81 CHRNA7 (0.35) SLC6A4SLC6A3SLC6A2CHRNA7TAS1R3
SCHEMBL7124019 0.81 MAPT (0.34) ALDH1A1PKMEZH2

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 ALDH1A1 870/4885PKM 4801/4885SLC6A4 2137/4885

“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.