SCHEMBL5954978

SCHEMBL5954978

CC1CC2CCN1C[C@@H]2NC(=O)n1ccc(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
CHRM4 P08173 2/20 0.33
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM2B Q8NHM5 3/20 0.31
HSD11B1 P28845 3/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
EPHX2 P34913 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
GRIN2B Q13224 1/20 0.30
HTR3A P46098 1/20 0.30
NPY5R Q15761 1/20 0.30
CHRNA7 P36544 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
SCHEMBL5955542 0.84 CHRNA7 (0.33) CHRM4CHRM2CHRM1HTR3ACHRNA7
SCHEMBL5954872 0.83 CHRNA7 (0.31) CHRM4CHRM2CHRM1HTR3ACHRNA7
SCHEMBL5955730 0.83 CHRNA7 (0.38) ALDH1A1HTR3ACHRNA7
SCHEMBL5954921 0.83 CHRNA7 (0.38) KDM1ACHRM4CHRM2CHRM1HTR3A
SCHEMBL5376338 0.82 CHRNA7 (0.46) KDM1ACHRM2CHRM1HTR3ACHRNA7
SCHEMBL5955671 0.81 ALDH1A1 (0.33) ALDH1A1CHRNA7
SCHEMBL5955668 0.80 CHRNA7 (0.36) CHRM4EPHX2CHRM2CHRM1HTR3A
SCHEMBL5955528 0.80 EPHX2 (0.33) KDM1ACHRM4NOTUMKDM2BHSD11B1
SCHEMBL5955750 0.80 EBP (0.33) CHRM4ALDH1A1EPHX2CHRM2CHRM1
SCHEMBL5954734 0.80 PIK3CD (0.33) KDM1ACHRM4HSD11B1HCRTR1HCRTR2

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 KDM1A 652/4885CHRM4 528/4885ALDH1A1 426/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 KDM1A 1440/4885CHRM4 4073/4885ALDH1A1 112/4885

“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.