SCHEMBL4279010

SCHEMBL4279010

C1CN2CCC1CC2C1CC2CCN1CC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.35
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL21563294 0.74 GNAI3 (0.31) SLC18A3
SCHEMBL22433282 0.74 SLC18A3 (0.36) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL3277616 0.73
SCHEMBL21028699 0.68 KDM4E (0.40) SLC18A3CYP2D6MEN1KMT2ALMNA
SCHEMBL27979614 0.67 KDM4E (0.50) MEN1KMT2A
SCHEMBL3198068 0.67
SCHEMBL1920414 0.67
SCHEMBL8340377 0.67
SCHEMBL9236734 0.67
SCHEMBL9550980 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518967-B2 Amides of acetic and propionic acids BAYER HEALTHCARE AG (DE) 2013-08-27 US disclosed
US-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS BAYER HEALTHCARE AG (DE) 2009-10-15 US disclosed
US-20050154045-A1 Aza-bicyclic n-biarylamides with affinity for the alpha-7 nicotinic acetylcholine receptor BAYER HEALTHCARE AG (DE) 2005-07-14 US disclosed
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP disclosed
EP-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP disclosed
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 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-20090258898-A1 AMIDES OF ACETIC AND PROPIONIC ACIDS HCAR2, HCAR3, NAAA SLC18A3 221/4885CYP2D6 3758/4885MEN1 2598/4885
US-20050154045-A1 Aza-bicyclic n-biarylamides with affinity for the alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA2 SLC18A3 53/4885CYP2D6 2210/4885MEN1 3795/4885

“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.