SCHEMBL7122496

SCHEMBL7122496

Cc1ncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
EZH2 Q15910 1/20 0.33
ITK Q08881 3/20 0.33
TRPV1 Q8NER1 1/20 0.31
NTRK1 P04629 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL7115100 0.89 CHRNA7 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7127427 0.88 F10 (0.38) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7120666 0.87 ITK (0.42) ITKNTRK1
SCHEMBL7116193 0.87 SLC6A2 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3ITK
SCHEMBL7125132 0.86 EPHX2 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7114502 0.85 CHRNA7 (0.33) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7224375 0.85 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ITK
SCHEMBL7124223 0.85 CHRNA7 (0.36) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7224129 0.84 NPC1 (0.32) CHRNA7SLC6A2SLC6A4SLC6A3
SCHEMBL7116913 0.84 HDAC6 (0.39) CHRNA7SLC6A2SLC6A4SLC6A3EZH2

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 397/4885SLC6A2 1156/4885SLC6A4 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.