SCHEMBL5376300

SCHEMBL5376300

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
CHRNA7 P36544 6/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
HTR7 P34969 1/20 0.38
GRIN2B Q13224 1/20 0.38
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
PAX8 Q06710 2/20 0.36
DYRK1A Q13627 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
SCHEMBL5376762 0.95 CHRNA7 (0.45) DRD2DRD4CHRNA7CHRNB2CHRNB4
SCHEMBL5376764 0.95 CHRNA7 (0.45) DRD2DRD4CHRNA7CHRNB2CHRNB4
SCHEMBL5373397 0.87 CHRNA7 (0.43) CHRNA7CHRM2CHRM1CHRM3GRM5
SCHEMBL5368598 0.87 CHRNA7 (0.43) CHRNA7GRIN2BCHRM3
SCHEMBL5367704 0.87 PAX8 (0.41) DRD2DRD4CHRNA7CHRNB2CHRNB4
SCHEMBL5368240 0.87 CHRNA7 (0.41) DRD2DRD4CHRNA7
SCHEMBL5390765 0.85 CHRNB2 (0.42) CHRNA7CHRNB2CHRNA4PAX8
SCHEMBL5386178 0.84 CHRM2 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5376855 0.82 CHRNA7 (0.50) CHRNA7CHRM2CHRM1CHRM3GRM5
SCHEMBL5368337 0.82 CHRNA7 (0.45) CHRNA7GRIN2BCSNK1E

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 DRD2 4113/4885DRD4 4116/4885CHRNA7 8/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 DRD2 3963/4885DRD4 3917/4885CHRNA7 2586/4885

“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.