SCHEMBL2990754

SCHEMBL2990754

O=C(O)C1CC2CNCC2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.60
CHRNA4 P43681 6/20 0.60
CHRNA7 P36544 5/20 0.60
CHRNB4 P30926 5/20 0.60
CHRNA3 P32297 5/20 0.60
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
CYP2C19 P33261 2/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
TSHR P16473 3/20 0.44
PMP22 Q01453 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44

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
SCHEMBL28205361 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL28205359 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL31170446 1.00 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL27297131 0.81 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL15583555 0.78 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Oxalic Acid SCHEMBL31075306 0.78 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL8256069 0.78 CYP2D6 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1117719 0.78 CYP2D6 (0.54) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL42967 0.77
SCHEMBL18460280 0.77 CYP2C19 (0.43) CYP2D6CYP1A2ALOX15CYP2C19SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES Mirati Therapeutics, Inc. (US) 2026-03-19 US disclosed
EP-4583976-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-07-16 EP disclosed
CN-113767092-B Di-heterocyclic carbonyl substituted dihydropyrazoles, their preparation and their use in medicine 劲方医药科技(上海)有限公司 2024-07-16 CN disclosed
WO-2024052513-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 WO disclosed
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
EP-2139857-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES Targacept Inc. (US) 2010-01-06 EP disclosed
WO-2008121686-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2008-10-09 WO disclosed

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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 CHRNB2 1/4885CHRNA4 3/4885CHRNA7 8/4885
US-20260078120-A1 SUBSTITUTED PYRIDOPYRIMIDINONES CBR1, CBR3, CNR1 CHRNB2 456/4885CHRNA4 138/4885CHRNA7 135/4885

“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.