SCHEMBL4463632

SCHEMBL4463632

C1=CC2(c3ccc(-c4cc5ccccc5o4)nc3)CCN(C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
GRM4 Q14833 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
METAP2 P50579 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CNR2 P34972 1/20 0.37
CYP19A1 P11511 1/20 0.36
MKNK1 Q9BUB5 4/20 0.35
MKNK2 Q9HBH9 4/20 0.35
F2RL3 Q96RI0 3/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL2678469 0.85 CYP11B1 (0.45) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL5218539 0.83 CYP11B1 (0.36) CYP11B1NPC1RAB9ASMN1; SMN2MAPT
Bromide SCHEMBL4467487 0.82 CYP11B1 (0.36) CYP11B1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5223359 0.81 CYP11B1 (0.42) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL2677845 0.81 CYP11B1 (0.43) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
Bromide SCHEMBL4467486 0.80 CYP11B1 (0.41) CYP11B1GRM4NPC1RAB9ASMN1; SMN2
Bromide SCHEMBL4466117 0.79 HSD11B1 (0.37) CYP11B1
SCHEMBL4467652 0.79 KDM1A (0.43) CYP11B1CYP19A1CHRM2CHRM4CHRM5
Bromide SCHEMBL4474311 0.78 KDM1A (0.43) CYP11B1CYP19A1CHRM2CHRM4CHRM5
Bromide SCHEMBL4460345 0.78 HSD11B1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed
EP-1465893-B1 DERIVATIVES OF 5-(PYRIDIN-3-YL)-1-AZABICYCLO (3.2.1) OCTANE, THE PREPARATION THEREOF AND THE APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2007-02-28 EP claimed

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-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC CYP11B1 136/4885GRM4 4257/4885NPC1 577/4885

“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.