SCHEMBL5371803

SCHEMBL5371803

O=C(NC1CC2CCN(CC2)C1)n1cc(-c2cccc(Cl)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALPI P09923 3/20 0.36
ALPG P10696 3/20 0.36
ALPL P05186 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CNR2 P34972 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
SCHEMBL5373457 0.95 CHRNA7 (0.48) CHRNA7NPC1RAB9APDE4APDE4B
SCHEMBL5373459 0.95 CHRNA7 (0.48) CHRNA7NPC1RAB9APDE4APDE4B
SCHEMBL5375158 0.88 DRD2 (0.40) CHRNA7KMT2AIRAK4
SCHEMBL5368571 0.88 CHRNA7 (0.41) CHRNA7KMT2AIRAK4USP30
SCHEMBL5376285 0.87 CHRNA7 (0.50) CHRNA7NPC1RAB9ACNR2USP30
SCHEMBL5376681 0.87 CHRNA7 (0.39) CHRNA7USP30
SCHEMBL5371793 0.85 KMT2A (0.41) NPC1RAB9AKMT2AUSP30
SCHEMBL5373495 0.84 CHRNA7 (0.47) CHRNA7
SCHEMBL5376655 0.83 CYP11B1 (0.38) CHRNA7USP30
SCHEMBL5382148 0.83 CHRNA7 (0.43) 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 6 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
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CHRNA7 8/4885NPC1 866/4885RAB9A 1128/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885NPC1 518/4885RAB9A 1460/4885

“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.