SCHEMBL8273288

SCHEMBL8273288

CC(=O)[C@H](c1ccccc1)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 2/20 0.45
ELOVL1 Q9BW60 1/20 0.44
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KMT2A Q03164 1/20 0.41
MTOR P42345 1/20 0.41

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
SCHEMBL8921482 1.00 ALDH1A1 (0.50) ALDH1A1GAAKDM4EELOVL1CYP2D6
SCHEMBL3329130 1.00 ALDH1A1 (0.50) ALDH1A1GAAKDM4EELOVL1CYP2D6
SCHEMBL12861259 0.88 PTGS2 (0.52) ALDH1A1GAAKDM4E
SCHEMBL222001 0.84 ALDH1A1 (0.51) ALDH1A1GAAKDM4EELOVL1CYP2D6
SCHEMBL10540988 0.84 ALDH1A1 (0.51) ALDH1A1GAAKDM4EELOVL1CYP2D6
SCHEMBL628680 0.84 ALDH1A1 (0.51) ALDH1A1GAAKDM4EELOVL1CYP2D6
SCHEMBL13389739 0.83 CHRM2 (0.46) ALDH1A1GAACYP2D6SRCHPGD
Hydrochloric Acid SCHEMBL2554908 0.83 ALDH1A1 (0.50) ALDH1A1GAAKDM4EELOVL1CYP2D6
Hydrochloric Acid SCHEMBL571538 0.83 ALDH1A1 (0.50) ALDH1A1GAAKDM4EELOVL1CYP2D6
Hydrochloric Acid SCHEMBL2552119 0.83 ALDH1A1 (0.50) ALDH1A1GAAKDM4EELOVL1CYP2D6

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
WO-2017136708-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES THE JOHNS HOPKINS UNIVERSITY (US) 2017-08-10 WO disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-9421192-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-23 US disclosed
US-20160067223-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-8900566-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-02 US disclosed
US-8846023-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
EP-2049522-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-05-14 EP disclosed
US-20140050695-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-20 US disclosed
US-20130004457-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2013-01-03 US disclosed
US-8329159-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-8303944-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110268697-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
US-20100158862-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 US disclosed
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-7354955-B2 (2S)-amino(phenyl)acetic acid and derivatives as α2δ voltage-gated calcium channel ligands ABBOTT LABORATORIES (US) 2008-04-08 US disclosed
US-20080050336-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-28 US disclosed
US-20050148671-A1 (2S)-amino(phenyl)acetic acid and derivatives as alpha2delta voltage-gated calcium channel ligands ABBOTT LABORATORIES 2005-07-07 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 (10 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-20050148671-A1 (2S)-amino(phenyl)acetic acid and derivatives as alpha2delta voltage-gated calcium channel ligands CACNA1S, CACNA1D, CACNA1B ALDH1A1 295/4885GAA 1025/4885KDM4E 1988/4885
US-20160067223-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20080050336-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20110268697-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20130004457-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20100158862-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885
US-20140050695-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS ALDH1A1 1144/4885GAA 223/4885KDM4E 3857/4885

“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.