SCHEMBL7124949

SCHEMBL7124949

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nc(Cl)co2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.35
TRPV1 Q8NER1 1/20 0.34
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 2/20 0.32
EZH2 Q15910 1/20 0.31
CHRNB2 P17787 6/20 0.31
CHRNA4 P43681 6/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL7115016 0.88 CHRNA7 (0.35) CHRNA7TRPV1SLC6A4SLC6A3SLC6A2
SCHEMBL7121241 0.86 EPHX2 (0.35) CHRNA7TRPV1SLC6A4SLC6A3SLC6A2
SCHEMBL7120674 0.86 CHRNA7 (0.34) CHRNA7TRPV1SLC6A4SLC6A3SLC6A2
SCHEMBL7124198 0.85 HDAC4 (0.34) CHRNA7SLC6A4SLC6A3SLC6A2
SCHEMBL7124189 0.85 SLC6A2 (0.36) CHRNA7SLC6A4SLC6A3SLC6A2EZH2
SCHEMBL7127517 0.85 SLC6A2 (0.34) CHRNA7TRPV1SLC6A4SLC6A3SLC6A2
SCHEMBL7116891 0.83 CHRNA7 (0.36) CHRNA7ALDH1A1
SCHEMBL7124903 0.83 HDAC6 (0.38) CHRNA7TRPV1SLC6A4SLC6A3SLC6A2
SCHEMBL7116052 0.82 CHRNA7 (0.36) CHRNA7TRPV1SLC6A4SLC6A3SLC6A2
SCHEMBL7124000 0.82 CHRNA7 (0.35) CHRNA7TRPV1SLC6A4SLC6A3SLC6A2

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 CHRNA7 397/4885TRPV1 4850/4885SLC6A4 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.