SCHEMBL5954801

SCHEMBL5954801

C[C@H]1[C@H](NC(=O)n2cc(Cl)cn2)C2CCN1CC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.36
PLAU P00749 3/20 0.35
CHRNA7 P36544 12/20 0.35
CHRNB2 P17787 11/20 0.35
CHRNA4 P43681 11/20 0.35
F2 P00734 1/20 0.35
KLKB1 P03952 1/20 0.35
HSD11B1 P28845 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
SCHEMBL5955548 0.86 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4
SCHEMBL5954941 0.86 ALDH1A1 (0.38) CHRNA7CHRNB2CHRNA4
SCHEMBL5955601 0.85 CHRNA7 (0.33) CHRNA7CHRNB2CHRNA4
SCHEMBL5954901 0.85 ELANE (0.37) ELANEPLAUCHRNA7CHRNB2CHRNA4
SCHEMBL5954835 0.83 ALDH1A1 (0.30) CHRNA7
SCHEMBL5955510 0.83 ALPI (0.41) CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL5954797 0.82 HSD11B1 (0.34) HSD11B1
SCHEMBL5955037 0.81 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL5955655 0.81 NAMPT (0.38) CHRNA7CHRNB2CHRNA4
SCHEMBL5955128 0.80 ROCK2 (0.37) CHRNA7CHRNB2CHRNA4

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 2 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
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US 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 ELANE 2587/4885PLAU 2784/4885CHRNA7 8/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 ELANE 1279/4885PLAU 3337/4885CHRNA7 2586/4885

“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.