SCHEMBL5363393

SCHEMBL5363393

O=C(O)CC1(c2ccc(Cl)cc2)CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
P2RX7 Q99572 13/20 0.54
HSD11B1 P28845 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48

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
SCHEMBL7177946 0.88 ALDH1A1 (0.61) ALDH1A1P2RX7HSD11B1L3MBTL1TSHR
SCHEMBL16430484 0.87 P2RX7 (0.54) ALDH1A1P2RX7HSD11B1
SCHEMBL15577224 0.85 TSHR (0.63) ALDH1A1P2RX7HSD11B1L3MBTL1TSHR
SCHEMBL624643 0.85 HSD11B1 (0.63) ALDH1A1HSD11B1L3MBTL1TSHR
SCHEMBL3633468 0.85 HSD11B1 (0.68) ALDH1A1P2RX7HSD11B1L3MBTL1
SCHEMBL18111428 0.84 HSD11B1 (0.71) ALDH1A1P2RX7HSD11B1L3MBTL1TSHR
SCHEMBL5365203 0.82 P2RX7 (0.56) ALDH1A1P2RX7L3MBTL1
SCHEMBL21214447 0.81 ALDH1A1 (0.55) ALDH1A1HSD11B1L3MBTL1TSHR
SCHEMBL22089167 0.80 HSD11B1 (0.50) ALDH1A1P2RX7HSD11B1L3MBTL1TSHR
SCHEMBL16565616 0.78 ALDH1A1 (0.56) ALDH1A1P2RX7HSD11B1

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 25 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-2015135091-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-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-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
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 ALDH1A1 955/4885P2RX7 1340/4885HSD11B1 1862/4885
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 ALDH1A1 354/4885P2RX7 2622/4885HSD11B1 453/4885
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors PREP, CTSZ, PEPD ALDH1A1 955/4885P2RX7 1340/4885HSD11B1 1862/4885

“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.