SCHEMBL5386240

SCHEMBL5386240

N#Cc1ccn(C(=O)NC2CC3CCN(CC3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.40
NOTUM Q6P988 1/20 0.34
USP30 Q70CQ3 5/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.32
EPHX1 P07099 1/20 0.32
KDM1A O60341 2/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL5380066 0.94 CHRNA7 (0.47) CHRNA7NOTUMUSP30NPC1RAB9A
SCHEMBL5380063 0.94 CHRNA7 (0.47) CHRNA7NOTUMUSP30NPC1RAB9A
SCHEMBL5376338 0.81 CHRNA7 (0.46) CHRNA7KDM1A
SCHEMBL5376641 0.81 CHRNA7 (0.51) CHRNA7NPC1RAB9A
SCHEMBL5382092 0.81 CHRNA7 (0.42) CHRNA7
SCHEMBL5369869 0.81 CHRNA7 (0.42) CHRNA7
SCHEMBL5386427 0.81 CHRNA7 (0.42) CHRNA7
SCHEMBL5390768 0.78 CHRNA7 (0.40) CHRNA7
SCHEMBL5368240 0.78 CHRNA7 (0.41) CHRNA7NPC1RAB9A
SCHEMBL5376700 0.77 CHRNA7 (0.37) CHRNA7USP30

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 8/4885NOTUM 3117/4885USP30 4247/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885NOTUM 3145/4885USP30 4397/4885

“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.