SCHEMBL5954891

SCHEMBL5954891

C[C@H]1[C@H](NC(=O)n2ccc(-c3cccc(F)c3)c2)C2CCN1CC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
POLB P06746 1/20 0.36
DYRK1A Q13627 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
GRIN2B Q13224 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA7 P36544 3/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL5955656 0.88 CHRNA7 (0.39) KMT2AGRIN2BCHRNA7
SCHEMBL5955010 0.88 KMT2A (0.43) CHRNB2CHRNA4KMT2AMEN1CHRNA7
SCHEMBL5955571 0.87 USP30 (0.35) CHRNB2CHRNA4DRD2DRD4KMT2A
SCHEMBL5955699 0.87 CHRNB2 (0.34) CHRNB2CHRNA4POLBKMT2AMEN1
SCHEMBL5954731 0.86 ALDH1A1 (0.39) CHRNB2CHRNA4POLBKMT2AMEN1
SCHEMBL5955547 0.82 FPR2 (0.35) CHRNB2CHRNA4POLBDYRK1AKMT2A
SCHEMBL5954761 0.82 DRD2 (0.36) CHRNB2CHRNA4DRD2DRD4POLB
SCHEMBL5955612 0.82 MEN1 (0.40) CHRNB2CHRNA4DRD2DRD4DYRK1A
SCHEMBL5954750 0.81 EBP (0.36)
SCHEMBL5955737 0.81 CHRNA7 (0.41) CHRNB2CHRNA4CHRNA7

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 CHRNB2 170/4885CHRNA4 85/4885DRD2 4113/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNB2 3958/4885CHRNA4 3568/4885DRD2 3963/4885

“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.