SCHEMBL5955720

SCHEMBL5955720

CC1CC2CCN1C[C@@H]2NC(=O)n1cc(-c2ccccc2Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
SCN9A Q15858 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C1 Q04828 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
CNR1 P21554 4/20 0.33
CNR2 P34972 2/20 0.32
HSD11B1 P28845 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ABL1 P00519 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CREBBP Q92793 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 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
SCHEMBL5955570 0.90 CHRNA7 (0.38) CHRNA7ABL1CHRM2CHRM1CHRM3
SCHEMBL5954725 0.89 CHRNA7 (0.35) CHRNA7USP30CHRNB2CHRNA4
SCHEMBL5955652 0.88 CHRNA7 (0.42) CHRNA7EGLN1USP30CHRNB2CHRNA4
SCHEMBL5955684 0.87 CHRNA7 (0.38) CHRNA7
SCHEMBL5955644 0.85 HTR3E (0.38) CHRNA7USP30CREBBP
SCHEMBL5376263 0.84 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5955677 0.84 ALPI (0.39) CHRNA7EGLN1USP30CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5371766 0.83 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5955810 0.83 CHRNA7 (0.40) CHRNA7USP30CHRNB2CHRNA4
SCHEMBL5955692 0.83 HTR3A (0.34) 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 CHRNA7 8/4885SCN9A 278/4885EGLN1 2693/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885SCN9A 2127/4885EGLN1 2024/4885

“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.