SCHEMBL6100339

SCHEMBL6100339

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
EPHX2 P34913 1/20 0.35
CHRNA7 P36544 1/20 0.34
SSTR3 P32745 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
BCHE P06276 1/20 0.33
MAOB P27338 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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
SCHEMBL6099892 0.89 EPHX2 (0.45) EPHX2NPC1RAB9ADRD2DRD3
SCHEMBL7124919 0.87 MELK (0.36) SLC6A2SLC6A4SLC6A3EPHX2CHRNA7
SCHEMBL7115105 0.87 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3EPHX2CHRNA7
SCHEMBL6098344 0.84 CHRNB4 (0.39) CHRNA7SSTR3NPC1RAB9ASMYD3
SCHEMBL7121745 0.84 CHRNB2 (0.40) CHRNA7SSTR3SMYD3
SCHEMBL6100330 0.83 SSTR3 (0.47) SSTR3
SCHEMBL6099319 0.83 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3CHRNA7SMYD3
SCHEMBL7121130 0.83 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3CHRNA7SSTR3
SCHEMBL7121774 0.83 CHRNA7 (0.36) CHRNA7SSTR3SMYD3
SCHEMBL7119235 0.83 CYP2A6 (0.43) SLC6A2SLC6A4SLC6A3CHRNA7NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
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 (2 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 SLC6A2 1156/4885SLC6A4 2137/4885SLC6A3 2265/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 SLC6A2 1361/4885SLC6A4 2113/4885SLC6A3 1166/4885

“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.