SCHEMBL5954929

SCHEMBL5954929

Cc1cccc(-c2ccn(C(=O)N[C@H]3CN4CCC3CC4C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.42
GFER P55789 2/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.34
SLC6A9 P48067 1/20 0.34
EPHX2 P34913 1/20 0.34
GRIN2B Q13224 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
PAX8 Q06710 1/20 0.33
NOTUM Q6P988 1/20 0.33
ICMT O60725 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
SCHEMBL5954761 0.89 DRD2 (0.36) CHRNA7KMT2AGRIN2BPAX8
SCHEMBL5954778 0.89 KMT2A (0.40) CHRNA7KMT2AALDH1A1
SCHEMBL5955668 0.89 CHRNA7 (0.36) CHRNA7EPHX2
SCHEMBL5955750 0.88 EBP (0.33) CHRNA7GFERALDH1A1SLC6A9EPHX2
SCHEMBL5955523 0.88 CHRNB2 (0.38) GFERKMT2AALDH1A1EPHX2GRIN2B
SCHEMBL5390776 0.85 CHRNA7 (0.57) CHRNA7
SCHEMBL5955542 0.84 CHRNA7 (0.33) CHRNA7GFER
SCHEMBL5955568 0.83 NR4A2 (0.36) CHRNA7EPHX2
SCHEMBL5955689 0.83 CHRNA7 (0.39) CHRNA7EPHX2GRIN2BPAX8
SCHEMBL5955695 0.83 CHRNA7 (0.39) CHRNA7KMT2AALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP 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
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO 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 (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 8/4885GFER 4434/4885KMT2A 3838/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885GFER 3779/4885KMT2A 4136/4885

“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.