SCHEMBL7124000

SCHEMBL7124000

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ncc(Cl)o2)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
CHRNB2 P17787 6/20 0.33
CHRNA4 P43681 6/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
HPGD P15428 1/20 0.33
CHRND Q07001 1/20 0.33
CHRNA2 Q15822 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL7121139 0.88 CHRNA7 (0.35) CHRNA7TRPV1CHRNB2CHRNA4SLC6A2
SCHEMBL7123907 0.86 CHRNA7 (0.34) CHRNA7TRPV1CHRNB2CHRNA4SLC6A2
SCHEMBL7122608 0.86 CHRNA7 (0.34) CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7127526 0.85 EPHX2 (0.35) CHRNA7CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7121307 0.85 SLC6A2 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3HTR3E
SCHEMBL7113509 0.85 CHRNA7 (0.33) CHRNA7TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL7124903 0.85 HDAC6 (0.38) CHRNA7TRPV1ALDH1A1SLC6A2SLC6A4
SCHEMBL7118045 0.85 CHRNA7 (0.36) CHRNA7TRPV1CHRNB2CHRNA4CHRNB4
SCHEMBL7126733 0.84 CHRNA7 (0.35) CHRNA7TRPV1CHRNB2CHRNA4CHRNB4
SCHEMBL7124938 0.83 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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 4850/4885CHRNB2 899/4885

“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.