SCHEMBL10120804

SCHEMBL10120804

CC(C)CCNC(=O)OCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 4/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 2/20 0.42
DNPEP Q9ULA0 2/20 0.42
ALOX15 P16050 1/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10119353 0.86 LMNA (0.51) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL19355184 0.83 CHRNB2 (0.41) SMN1; SMN2LMNAALDH1A1CHRNB2CHRNB4
SCHEMBL19343051 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1CHRNB2CHRNB4
SCHEMBL8381807 0.83 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL604896 0.83 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL10147776 0.83 CHRNB2 (0.46) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL604897 0.83 CHRNB2 (0.54) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL15148136 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL16658578 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1TSHRMAPK1
SCHEMBL21400836 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1TSHRMAPK1

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-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140308243-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-10-16 US disclosed
US-8785487-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 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 (4 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT SMN1; SMN2 4547/4885LMNA 824/4885ALDH1A1 947/4885
US-20140308243-A1 HEPATITIS C VIRUS INHIBITORS ZC3HAV1, ZC3HAV1L, HAVCR2 SMN1; SMN2 4395/4885LMNA 894/4885ALDH1A1 912/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 SMN1; SMN2 4341/4885LMNA 886/4885ALDH1A1 901/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 SMN1; SMN2 4303/4885LMNA 821/4885ALDH1A1 984/4885

“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.