SCHEMBL5373397

SCHEMBL5373397

O=C(NC1CC2CCN(CC2)C1)n1ccc(-c2cccc(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.43
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GRM5 P41594 1/20 0.36

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
SCHEMBL5376859 0.95 CHRNA7 (0.50) CHRNA7MAPTNPC1RAB9ACHRM2
SCHEMBL5376855 0.95 CHRNA7 (0.50) CHRNA7MAPTNPC1RAB9ACHRM2
SCHEMBL5376300 0.87 DRD2 (0.41) CHRNA7CHRM2CHRM1CHRM3GRM5
SCHEMBL5368598 0.87 CHRNA7 (0.43) CHRNA7CHRM3KMT2ARXFP1NOTUM
SCHEMBL5380570 0.87 CHRNA7 (0.52) CHRNA7NPC1RAB9ATSHR
SCHEMBL5368240 0.87 CHRNA7 (0.41) CHRNA7NPC1RAB9AKMT2A
SCHEMBL5390765 0.85 CHRNB2 (0.42) CHRNA7NPC1RAB9AKMT2ATSHR
SCHEMBL5371878 0.84 CHRNA7 (0.50) CHRNA7TSHR
SCHEMBL5376641 0.83 CHRNA7 (0.51) CHRNA7NPC1RAB9ATSHR
SCHEMBL5376762 0.82 CHRNA7 (0.45) CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US claimed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US disclosed
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CHRNA7 8/4885MAPT 2148/4885NPC1 866/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885MAPT 2515/4885NPC1 518/4885

“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.