SCHEMBL5954751

SCHEMBL5954751

C[C@H]1[C@H](NC(=O)n2cc(-c3ccccn3)cn2)C2CCN1CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.40
CHRNB2 P17787 6/20 0.40
CHRNA4 P43681 6/20 0.40
USP30 Q70CQ3 4/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.34

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
SCHEMBL5955655 0.86 NAMPT (0.38) CHRNA7CHRNB2CHRNA4MAPTHPGD
SCHEMBL5955661 0.82 GRIN2B (0.35) CHRNA7BRD4CREBBP
SCHEMBL5955536 0.82 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4USP30GSK3B
SCHEMBL5954841 0.82 CHRNA7 (0.41) CHRNA7CHRNB2CHRNA4
SCHEMBL5955810 0.82 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4USP30GSK3B
SCHEMBL5955037 0.82 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4USP30RAB9A
SCHEMBL5955538 0.82 CHRNB2 (0.38) CHRNA7CHRNB2CHRNA4USP30DYRK1A
SCHEMBL5955128 0.81 ROCK2 (0.37) CHRNA7CHRNB2CHRNA4GSK3BDYRK1A
SCHEMBL5954717 0.81 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4BRD4CREBBP
SCHEMBL5955548 0.80 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4BRD4CREBBP

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 CHRNA7 8/4885CHRNB2 170/4885CHRNA4 85/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CHRNB2 3958/4885CHRNA4 3568/4885

“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.