SCHEMBL7115100

SCHEMBL7115100

CC(=O)c1ncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
NTRK1 P04629 1/20 0.34
ITK Q08881 8/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
EZH2 Q15910 1/20 0.33

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
SCHEMBL7122496 0.89 CHRNA7 (0.35) CHRNA7NTRK1ITKSLC6A4SLC6A2
SCHEMBL7120666 0.89 ITK (0.42) NTRK1ITK
SCHEMBL7127427 0.87 F10 (0.38) CHRNA7ITKSLC6A4SLC6A2SLC6A3
SCHEMBL7116193 0.87 SLC6A2 (0.36) CHRNA7ITKSLC6A4SLC6A2SLC6A3
SCHEMBL7224375 0.86 SLC6A2 (0.38) ITKSLC6A4SLC6A2SLC6A3
SCHEMBL7125132 0.85 EPHX2 (0.35) CHRNA7SLC6A4SLC6A2SLC6A3EZH2
SCHEMBL7123272 0.85 HDAC6 (0.38) CHRNA7SLC6A4SLC6A2SLC6A3EZH2
SCHEMBL7225406 0.85 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL7224609 0.85 CRBN (0.34) CHRNA7ITKSLC6A4SLC6A2SLC6A3
SCHEMBL7114502 0.85 CHRNA7 (0.33) CHRNA7ITKSLC6A4SLC6A2SLC6A3

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 397/4885NTRK1 4495/4885ITK 1619/4885

“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.