SCHEMBL3640335

SCHEMBL3640335

COC(=O)C1CCC(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BTK Q06187 1/20 0.40
BRD4 O60885 1/20 0.38
TP53 P04637 1/20 0.38
DGAT1 O75907 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL4228795 1.00 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3646231 1.00 SMN1; SMN2 (0.42) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1296894 0.92 BTK (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL10210925 0.92 SMN1; SMN2 (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3643987 0.92 CHRNB2 (0.48) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4220147 0.92 CHRNB2 (0.48) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3643983 0.92 CHRNB2 (0.48) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1296457 0.92 SMN1; SMN2 (0.49) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20077522 0.85 SMN1; SMN2 (0.38) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30684661 0.85 HRH3 (0.37) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-2176247-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR Amgen Inc. (US) 2010-04-21 EP disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
WO-2009009122-A2 DERIVATIVES OF UREA AND RELATED DIAMINES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR AMGEN INC. (US) 2009-01-15 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 (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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 SMN1; SMN2 4451/4885CHRNB2 2910/4885CHRNA4 2640/4885

“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.