SCHEMBL5768474

SCHEMBL5768474

CC(=O)c1ccc2c(c1)C1CCC2CNC1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.82
CHRNA4 P43681 11/20 0.82
CHRNB4 P30926 6/20 0.82
CHRNA3 P32297 6/20 0.82
CHRNA1 P02708 2/20 0.82
CHRNG P07510 2/20 0.82
CHRNB1 P11230 2/20 0.82
CHRND Q07001 2/20 0.82
RARG P13631 2/20 0.46
RARB P10826 1/20 0.46
CREBBP Q92793 1/20 0.44
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
Hydrochloric Acid SCHEMBL6395673 0.98 CHRNB2 (0.79) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL4404495 0.90 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
Hydrochloric Acid SCHEMBL4413197 0.89 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL10932919 0.84 CHRNB2 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL3446478 0.79 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL27992799 0.74 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL10215423 0.73 CHRNB2 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL5688759 0.73 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL10170777 0.73 CHRNA1 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1
SCHEMBL5995209 0.73 CHRNB2 (0.65) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648872-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2006-04-26 EP claimed
WO-2005007630-A2 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-01-27 WO claimed
US-20050020616-A1 Aryl fused azapolycyclic compounds PFIZER INC 2005-01-27 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 (1 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-20050020616-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B CHRNB2 249/4885CHRNA4 157/4885CHRNB4 356/4885

“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.