SCHEMBL5954836

SCHEMBL5954836

Cc1ccc(-c2cnn(C(=O)N[C@H]3CN4CCC3CC4C)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.34
LMNA P02545 1/20 0.34
ROCK2 O75116 1/20 0.33
CHRNA7 P36544 2/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
EBP Q15125 1/20 0.32
DHCR7 Q9UBM7 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NAMPT P43490 1/20 0.31
GSK3B P49841 3/20 0.31
DYRK1A Q13627 3/20 0.31
KIT P10721 1/20 0.31
CREBBP Q92793 1/20 0.31
EPHX2 P34913 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 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
SCHEMBL5955643 0.91 USP30 (0.36) USP30ROCK2BRD4BRD2BRD3
SCHEMBL5955644 0.91 HTR3E (0.38) USP30LMNACHRNA7BRD4BRD2
SCHEMBL5955684 0.91 CHRNA7 (0.38) CHRNA7BRD4BRD2BRD3NPC1
SCHEMBL5955673 0.89 CCNA2 (0.39) ROCK2CHRNA7BRD4BRD2BRD3
SCHEMBL5954818 0.88 CHRNA7 (0.41) CHRNA7CREBBPEPHX2
SCHEMBL5955658 0.87 ALDH1A1 (0.37) LMNACHRNA7
SCHEMBL5954741 0.85 CHRNA7 (0.37) CHRNA7BRD2GSK3BDYRK1A
SCHEMBL5955680 0.85 KDM4E (0.35) CHRNA7EPHX2
SCHEMBL5955570 0.85 CHRNA7 (0.38) CHRNA7BRD4BRD2BRD3
SCHEMBL5380217 0.84 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 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 USP30 4247/4885LMNA 1129/4885ROCK2 4471/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 USP30 4397/4885LMNA 3943/4885ROCK2 3822/4885

“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.