SCHEMBL2199176

SCHEMBL2199176

O=C(Nc1ccc(-c2ncc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)CC4CC4)cc3)o2)cc1)C1CCCN1C(=O)CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMO Q99835 1/20 0.41
PABPC1 P11940 1/20 0.40
KCNH2 Q12809 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
SCHEMBL2199180 1.00 HCRTR1 (0.45) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL13570511 1.00 HCRTR1 (0.45) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL2192120 0.89 ALDH1A1 (0.47) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL2196503 0.87 ALDH1A1 (0.47) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL13571673 0.87 ALDH1A1 (0.47) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL13571535 0.87 HCRTR1 (0.43) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL13570490 0.87 HCRTR1 (0.43) HCRTR1HCRTR2ALDH1A1MEN1KMT2A
SCHEMBL13570409 0.86 SMO (0.46) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL14664066 0.86 SMO (0.46) HCRTR1HCRTR2CNR1CNR2ALDH1A1
SCHEMBL2196787 0.86 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EGAA

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-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO claimed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HCRTR1 4731/4885HCRTR2 4822/4885CNR1 4439/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 HCRTR1 4731/4885HCRTR2 4822/4885CNR1 4439/4885

“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.