SCHEMBL7126705

SCHEMBL7126705

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nncs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
HDAC6 Q9UBN7 1/20 0.32
EZH2 Q15910 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
LMNA P02545 1/20 0.31
MAPK10 P53779 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL7115104 0.83 CHRNA7 (0.38) CHRNA7SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL7122527 0.82 CHRNA7 (0.35) CHRNA7HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL7123302 0.82 MAPT (0.38) CHRNA7HPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL7115039 0.82 HDAC6 (0.38) CHRNA7HPGDSMN1; SMN2SLC6A2SLC6A4
SCHEMBL7121893 0.82 HDAC6 (0.38) CHRNA7SLC6A2SLC6A4SLC6A3HDAC6
SCHEMBL7115023 0.82 CHRNA7 (0.35) CHRNA7SLC6A2SLC6A4SLC6A3EZH2
SCHEMBL7123272 0.82 HDAC6 (0.38) CHRNA7SLC6A2SLC6A4SLC6A3HDAC6
SCHEMBL7233218 0.82 HPGD (0.34) HPGDSMN1; SMN2
SCHEMBL6310734 0.81 CHRNA7 (0.34) CHRNA7HPGDSMN1; SMN2HDAC6EZH2
SCHEMBL6311035 0.81 CHRNA7 (0.38) CHRNA7HPGDSMN1; SMN2HDAC6EZH2

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 397/4885HPGD 1941/4885SMN1; SMN2 1918/4885

“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.