SCHEMBL5373365

SCHEMBL5373365

O=C(NC1CC2CCN(CC2)C1)n1ccc(-c2ccccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.41
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C1 Q04828 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
MAPK13 O15264 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CNR1 P21554 2/20 0.33
KRAS P01116 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL5376675 0.95 CHRNA7 (0.48) CHRNA7GAAATMAKR1C3AKR1C1
SCHEMBL5376672 0.95 CHRNA7 (0.48) CHRNA7GAAATMAKR1C3AKR1C1
SCHEMBL5371822 0.87 CHRNA7 (0.38) CHRNA7RAB9AKMT2ACHRM2CHRM1
SCHEMBL5376274 0.87 CHRNA7 (0.39) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5368240 0.85 CHRNA7 (0.41) CHRNA7NPC1RAB9AMEN1KMT2A
SCHEMBL5376283 0.85 CHRNA7 (0.43) CHRNA7NPC1RAB9AKMT2A
SCHEMBL5376880 0.83 CHRNA7 (0.55) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5380570 0.83 CHRNA7 (0.52) CHRNA7NPC1RAB9A
SCHEMBL5373397 0.82 CHRNA7 (0.43) CHRNA7NPC1RAB9AKMT2ACHRM2
SCHEMBL5368665 0.82 CHRNA7 (0.44) CHRNA7RAB9A

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 8/4885GAA 364/4885ATM 4855/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885GAA 460/4885ATM 4635/4885

“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.