SCHEMBL7115178

SCHEMBL7115178

COc1cc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)no1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.38
SLC6A3 Q01959 6/20 0.38
SLC6A2 P23975 5/20 0.38
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
ITGA5 P08648 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL7125031 0.87 NPC1 (0.37) SLC6A4SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL7120638 0.86 ALDH1A1 (0.34) SLC6A4SLC6A3SLC6A2HTR3EHTR3B
SCHEMBL7124866 0.86 SLC6A4 (0.35) SLC6A4SLC6A3SLC6A2HTR3EHTR3B
SCHEMBL7115153 0.85 SLC6A3 (0.35) SLC6A4SLC6A3SLC6A2HTR3EHTR3B
SCHEMBL7124856 0.85 EPHX2 (0.35) SLC6A4SLC6A3SLC6A2KDM1A
SCHEMBL7123917 0.84 HDAC4 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL7123855 0.82 F10 (0.37) KDM1A
SCHEMBL7120646 0.82 SLC6A2 (0.38) SLC6A4SLC6A3SLC6A2HTR3EHTR3B
SCHEMBL7121307 0.81 SLC6A2 (0.36) SLC6A4SLC6A3SLC6A2HTR3EHTR3B
SCHEMBL7123423 0.81 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2HTR3EHTR3B

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 SLC6A4 2137/4885SLC6A3 2265/4885SLC6A2 1156/4885

“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.