SCHEMBL5365250

SCHEMBL5365250

CCOC(=O)C(C#N)C1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
P2RX7 Q99572 6/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
CCR1 P32246 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
SCHEMBL20902327 0.90 OPRM1 (0.39) OPRM1P2RX7LMNAMAPTMEN1
SCHEMBL15011161 0.89 SLC6A4 (0.46) OPRM1ALDH1A1LMNAMAPTTDP1
SCHEMBL18112397 0.88 OPRM1 (0.41) OPRM1ALDH1A1LMNAMAPTMEN1
SCHEMBL15577194 0.88 NPSR1 (0.45) OPRM1ALDH1A1LMNAMAPTTDP1
SCHEMBL16553799 0.87 C5AR1 (0.40) OPRM1ALDH1A1LMNAMAPTTDP1
SCHEMBL31731178 0.85 ALDH1A1 (0.47) OPRM1ALDH1A1LMNAMAPTTDP1
SCHEMBL17078046 0.83 OPRM1 (0.44) OPRM1ALDH1A1LMNAMEN1KMT2A
SCHEMBL16554255 0.79 MEN1 (0.44) OPRM1ALDH1A1LMNAMEN1KMT2A
SCHEMBL17078017 0.77 OPRM1 (0.42) OPRM1ALDH1A1MAPTMEN1KMT2A
SCHEMBL627890 0.77 OPRM1 (0.43) OPRM1ALDH1A1LMNAMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027593-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2020-06-10 EP disclosed
EP-3027593-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2020-06-10 EP disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 EP disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 EP disclosed
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-27 US disclosed
US-9840478-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-9840478-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-12-12 US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 US disclosed
EP-3116862-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-01-18 EP disclosed
WO-2015138220-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
WO-2015138220-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
WO-2015135091-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
WO-2015017393-A2 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 WO disclosed
WO-2015013835-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 WO disclosed
WO-2015013835-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-02-05 WO disclosed
US-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 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 (3 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-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS PREP, CTSZ, PEPD OPRM1 2396/4885P2RX7 1340/4885ALDH1A1 955/4885
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 OPRM1 377/4885P2RX7 2622/4885ALDH1A1 354/4885
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors PREP, CTSZ, PEPD OPRM1 2396/4885P2RX7 1340/4885ALDH1A1 955/4885

“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.