SCHEMBL5368663

SCHEMBL5368663

Cc1ccccc1-c1ccn(C(=O)N[C@@H]2C[C@H]3CCN(C3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.44
PAX8 Q06710 2/20 0.38
GRIN2B Q13224 1/20 0.35
HTR7 P34969 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
CREBBP Q92793 1/20 0.32
RAB9A P51151 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
SCHEMBL5368665 1.00 CHRNA7 (0.44) CHRNA7PAX8GRIN2BHTR7TDP1
SCHEMBL5376274 0.95 CHRNA7 (0.39) CHRNA7PAX8GRIN2BHTR7TDP1
SCHEMBL5371874 0.88 CHRNA7 (0.42) CHRNA7RAB9A
SCHEMBL5371870 0.88 CHRNA7 (0.42) CHRNA7RAB9A
SCHEMBL5376672 0.87 CHRNA7 (0.48) CHRNA7
SCHEMBL5368179 0.87 CHRNA7 (0.44) CHRNA7PAX8GRIN2BHTR7RAB9A
SCHEMBL5368176 0.87 CHRNA7 (0.44) CHRNA7PAX8GRIN2BHTR7RAB9A
SCHEMBL5376675 0.87 CHRNA7 (0.48) CHRNA7
SCHEMBL5368681 0.85 CHRNA7 (0.47) CHRNA7RAB9A
SCHEMBL5368688 0.85 CHRNA7 (0.47) 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 8/4885PAX8 1226/4885GRIN2B 290/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885PAX8 1771/4885GRIN2B 741/4885

“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.