SCHEMBL5954797

SCHEMBL5954797

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
AR P10275 1/20 0.31
USP30 Q70CQ3 1/20 0.30
CHRM4 P08173 1/20 0.30

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
SCHEMBL5954941 0.83 ALDH1A1 (0.38)
SCHEMBL5955601 0.82 CHRNA7 (0.33)
SCHEMBL5954801 0.82 ELANE (0.36) HSD11B1
SCHEMBL5954901 0.82 ELANE (0.37)
SCHEMBL5954734 0.80 PIK3CD (0.33) HSD11B1CHRM4
SCHEMBL5954835 0.80 ALDH1A1 (0.30)
SCHEMBL5955655 0.78 NAMPT (0.38)
SCHEMBL5955528 0.78 EPHX2 (0.33) HSD11B1USP30CHRM4
SCHEMBL5955128 0.77 ROCK2 (0.37)
SCHEMBL5955548 0.76 CHRNA7 (0.38)

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 HSD11B1 213/4885AR 2938/4885USP30 4247/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 HSD11B1 65/4885AR 3635/4885USP30 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.