SCHEMBL7119235

SCHEMBL7119235

Cc1ccc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD4 P21917 2/20 0.40
CHRNA7 P36544 2/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6098344 0.87 CHRNB4 (0.39) DRD4CHRNA7RAB9ANPC1
SCHEMBL7121745 0.87 CHRNB2 (0.40) DRD4CHRNA7
SCHEMBL6100330 0.86 SSTR3 (0.47) DRD4
SCHEMBL7124945 0.86 CHRNA7 (0.37) DRD4CHRNA7
SCHEMBL7124881 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CHRNA7HPGD
SCHEMBL7121774 0.86 CHRNA7 (0.36) DRD4CHRNA7
SCHEMBL7124032 0.86 SSTR3 (0.45) SLC6A3CHRNA7
SCHEMBL7125111 0.86 DRD4 (0.40) DRD4CHRNA7RAB9A
SCHEMBL7121130 0.86 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CHRNA7
SCHEMBL6102157 0.86 F10 (0.45) SLC6A4SLC6A3DRD4CHRNA7

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 CYP2A6 23/4885SLC6A2 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.