SCHEMBL7127524

SCHEMBL7127524

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.55
EZH2 Q15910 1/20 0.50
EPHX2 P34913 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL7124385 0.90 CHRNA7 (0.44) CHRNA7EZH2EPHX2HTR3EHTR3B
SCHEMBL7125201 0.89 DDB1 (0.43) CHRNA7EZH2HTR3EHTR3BHTR3A
SCHEMBL7116048 0.89 HPGD (0.46) CHRNA7EZH2HTR3EHTR3BHTR3A
SCHEMBL7124390 0.89 CHRNA7 (0.43) CHRNA7EZH2EPHX2HTR3EHTR3B
SCHEMBL7123508 0.89 TRPV1 (0.44) CHRNA7EZH2HTR3EHTR3BHTR3A
SCHEMBL7121781 0.89 CHRNA7 (0.44) CHRNA7EZH2
SCHEMBL7125274 0.88 CHRNA7 (0.43) CHRNA7EZH2
SCHEMBL7127459 0.88 CHRNA7 (0.43) CHRNA7EZH2NPC1RAB9A
SCHEMBL7117999 0.87 CHRNA7 (0.42) CHRNA7EZH2EPHX2HTR3EHTR3B
SCHEMBL7125131 0.87 EPHX2 (0.49) CHRNA7EZH2EPHX2ALDH1A1NPC1

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 397/4885EZH2 462/4885EPHX2 194/4885

“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.