SCHEMBL2913571

SCHEMBL2913571

c1ccc2c(c1)C1CCCC2C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PDPK1 O15530 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 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
SCHEMBL11704162 0.94 CHRNB4 (0.54) CHRNB4CHRNA3NOS1PDPK1HTR2C
SCHEMBL11701290 0.92 CHRNB4 (0.52) CHRNB4CHRNA3NOS1HTR2C
SCHEMBL11704954 0.92 CHRNB4 (0.52) CHRNB4CHRNA3NOS1HTR2C
SCHEMBL221689 0.88 CHRNB4 (0.59) CHRNB4CHRNA3PDPK1HTR2CCHRNB2
SCHEMBL30166929 0.88 CHRNB4 (0.59) CHRNB4CHRNA3PDPK1HTR2CCHRNB2
SCHEMBL23797352 0.88 CHRNB4 (0.59) CHRNB4CHRNA3PDPK1HTR2CCHRNB2
SCHEMBL2913620 0.86 CHRNB4 (0.44) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL16099720 0.85 CHRNB4 (0.46) CHRNB4CHRNA3NOS3NOS1NOS2
SCHEMBL779938 0.82 CHRNB4 (0.46) CHRNB4CHRNA3HTR2C
SCHEMBL42781 0.80 PTGDR2 (0.48) CHRNB4CHRNA3NOS1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF WILMINGTON SAVINGS FUND SOCIETY, FSB, AS COLLATERAL AGENT 2023-09-14 US disclosed
US-11717524-B1 Varenicline compound and process of manufacture thereof PAR PHARMACEUTICAL, INC. (US) 2023-08-08 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-3979434-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-07 US disclosed
US-3976696-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3976693-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3957872-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-18 US disclosed
US-3937736-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US disclosed
US-3931328-A CARBURETOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 US 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-20230285407-A1 VARENICILINE COMPOUND AND PROCESS OF MANUFACTURE THEREOF COMT, CYP2C9, CYP3A7 CHRNB4 101/4885CHRNA3 70/4885NOS3 1118/4885
US-11717524-B1 Varenicline compound and process of manufacture thereof COMT, CYP2C9, CYP3A7 CHRNB4 43/4885CHRNA3 61/4885NOS3 1619/4885

“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.