SCHEMBL2793124

SCHEMBL2793124

CC(C)(C)OC(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.65
STS P08842 2/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CACNB4 O00305 2/20 0.53
CACNA1A O00555 2/20 0.53
CACNA1G O43497 2/20 0.53
CACNG3 O60359 2/20 0.53
CACNA1F O60840 2/20 0.53
CACNA1H O95180 2/20 0.53
CACNB3 P54284 2/20 0.53
CACNA2D1 P54289 2/20 0.53
CACNG7 P62955 2/20 0.53
CACNA1B Q00975 2/20 0.53
CACNA1D Q01668 2/20 0.53
CACNB1 Q02641 2/20 0.53
CACNG1 Q06432 2/20 0.53
CACNB2 Q08289 2/20 0.53
CACNA1S Q13698 2/20 0.53
CACNA1C Q13936 2/20 0.53

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
SCHEMBL21436867 0.92 GPR119 (0.57) GPR119STSMEN1KMT2ACACNB4
SCHEMBL4312281 0.89 GPR119 (0.54) GPR119STSMEN1KMT2ACACNB4
SCHEMBL4312286 0.89 GPR119 (0.54) GPR119STSMEN1KMT2ACACNB4
SCHEMBL2735422 0.88 GPR119 (0.67) GPR119KMT2ACHEK2ALDH1A1NPBWR1
SCHEMBL12533230 0.88 GPR119 (0.67) GPR119STSCHEK2ALDH1A1EPHX2
SCHEMBL74203 0.88 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3
SCHEMBL264162 0.88 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3
SCHEMBL24721250 0.87 ALDH1A1 (0.65) GPR119MEN1KMT2ACHEK2ALDH1A1
SCHEMBL2116540 0.86 GPR119 (0.65) GPR119CHEK2ALDH1A1HRH3
SCHEMBL2366151 0.86 GPR119 (0.65) GPR119CHEK2ALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS BASILEA PHARM INT AG (CH) 2019-05-16 US disclosed
EP-3478678-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS Basilea Pharmaceutica International AG (CH) 2019-05-08 EP disclosed
WO-2018002220-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS Basilea Pharmaceutica International AG (CH) 2018-01-04 WO disclosed
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-11 US disclosed
US-8648197-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-11 US disclosed
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-05-16 US disclosed
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8168788-B2 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
WO-2006010966-A1 NEW BENZOYL UREA DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 2006-02-02 WO disclosed
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
US-20040097425-A1 Peptide compounds ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
EP-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 EP disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO disclosed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 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 (7 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-20110237601-A1 Substituted piperazinyl-pyrrolidine compounds useful as chemokine receptor antagonists ACKR3, CCR5, CCR2 GPR119 277/4885STS 2432/4885MEN1 3404/4885
US-20040097425-A1 Peptide compounds VIP, NOS1, NOS3 GPR119 118/4885STS 186/4885MEN1 1167/4885
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C GPR119 490/4885STS 3976/4885MEN1 2584/4885
US-20190142810-A1 MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS NDUFAB1, FH, MT-ND1 GPR119 855/4885STS 3838/4885MEN1 1271/4885
US-20140364420-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 GPR119 277/4885STS 2432/4885MEN1 3404/4885
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 GPR119 164/4885STS 1954/4885MEN1 2336/4885
US-20130123270-A1 SUBSTITUTED PIPERAZINYL-PYRROLIDINE COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CCR2 GPR119 277/4885STS 2432/4885MEN1 3404/4885

“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.