SCHEMBL5955652

SCHEMBL5955652

COc1ccccc1-c1cnn(C(=O)N[C@H]2CN3CCC2CC3C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.42
HTR3A P46098 2/20 0.40
KCNH2 Q12809 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
EPHX2 P34913 1/20 0.36
USP30 Q70CQ3 1/20 0.35
FAAH O00519 1/20 0.35
JAK3 P52333 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL5955570 0.89 CHRNA7 (0.38) CHRNA7
SCHEMBL5954725 0.88 CHRNA7 (0.35) CHRNA7HTR3AUSP30FAAHCHRNB2
SCHEMBL5955720 0.88 CHRNA7 (0.38) CHRNA7EGLN1USP30JAK3CHRNB2
SCHEMBL5955684 0.86 CHRNA7 (0.38) CHRNA7HTR3AKCNH2EPHX2
SCHEMBL5368280 0.85 CHRNA7 (0.56) CHRNA7HTR3AKCNH2
SCHEMBL5955673 0.85 CCNA2 (0.39) CHRNA7EGLN1EPHX2CHRNB2CHRNA4
SCHEMBL6827536 0.84 KMT2A (0.40) HTR3AEGLN1EPHX2JAK3CHRNB2
SCHEMBL5955715 0.83 CHRNA7 (0.43) CHRNA7HTR3AKCNH2EPHX2
SCHEMBL5954717 0.83 CHRNA7 (0.40) CHRNA7HTR3AKCNH2EGLN1JAK3
SCHEMBL5955643 0.83 USP30 (0.36) USP30

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 8/4885HTR3A 791/4885KCNH2 169/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885HTR3A 2651/4885KCNH2 1957/4885

“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.