Sugi Predict

Sugi Predict / Compounds / SCHEMBL904904

SCHEMBL904904

SCHEMBL904904

O=c1oc2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 11/20 0.66
▸ HTR2A P28223 3/20 0.66
▸ SCN1A P35498 2/20 0.66
▸ SCN5A Q14524 2/20 0.66
▸ SCN9A Q15858 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ SLC22A2 O15244 1/20 0.66
▸ MLNR O43193 1/20 0.66
▸ CACNA1G O43497 1/20 0.66
▸ CACNA1F O60840 1/20 0.66
▸ GMNN O75496 1/20 0.66
▸ USP2 O75604 1/20 0.66
▸ USP1 O94782 1/20 0.66
▸ KCNK2 O95069 1/20 0.66
▸ CACNA1H O95180 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ LMNA P02545 1/20 0.66
▸ ESR1 P03372 1/20 0.66

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
SCHEMBL1861402 0.86 ADRA1D (0.56) ADRA1AHTR2ASCN1ASCN5ASCN9A
SCHEMBL11929305 0.81 HTR2A (0.68) ADRA1AHTR2ASCN1ASCN5ASCN9A
Pimozide SCHEMBL29381325 0.80 DRD2 (1.00) ADRA1AHTR2ASCN1ASCN5ASCN9A
Pimozide SCHEMBL14127068 0.80 DRD2 (1.00) ADRA1AHTR2ASCN1ASCN5ASCN9A
Pimozide SCHEMBL41584 0.80 DRD2 (1.00) ADRA1AHTR2ASCN1ASCN5ASCN9A
SCHEMBL10281563 0.79 OPRM1 (0.65) ADRA1AHTR2ASCN1ASCN5ASCN9A
Pimozide SCHEMBL29031811 0.79 DRD2 (0.98) ADRA1AHTR2ASCN1ASCN5ASCN9A
Pimozide SCHEMBL572869 0.79 DRD2 (0.98) ADRA1AHTR2ASCN1ASCN5ASCN9A
SCHEMBL12863786 0.79 DRD2 (0.98) ADRA1AHTR2ASCN1ASCN5ASCN9A
SCHEMBL11925195 0.79 SLC6A2 (0.65) ADRA1AHTR2ASCN1ASCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 — — US claimed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 — — US claimed
EP-1598340-B1 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-BENZOXAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO CELTIQUE SA (LU) 2009-03-04 — — EP claimed
EP-1930322-A1 1-(4-piperidinyl)-1,3-dihydro-2H-benzoxazole-2-one derivatives and related compounds as nociceptin analogs and ORL1 ligands for the treatment of pain EURO-CELTIQUE S.A. (LU) 2008-06-11 — — EP claimed
EP-1598340-A1 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-BENZOXAZOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO-CELTIQUE S.A. (LU) 2005-11-23 — — EP claimed
EP-1379246-A4 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2005-09-28 — — EP claimed
EP-1379246-A1 NOCICEPTIN ANALOGS Euro-Celtique S.A. (LU) 2004-01-14 — — EP claimed
US-20030069249-A1 Nociceptin analogs PURDUE PHARMA L.P. 2003-04-10 — — US claimed
WO-2002085357-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 — — WO claimed
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 — — US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 — — US disclosed
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 — — WO disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 — — US disclosed
EP-1598338-B9 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO CELTIQUE SA (LU) 2009-11-18 — — EP disclosed
EP-1379246-A4 NOCICEPTIN ANALOGS EURO CELTIQUE SA (LU) 2005-09-28 — — EP disclosed
US-20050159452-A1 Nociceptin analogs PURDUE PHARMA L.P. 2005-07-21 — — US disclosed
US-6867222-B2 Nociceptin analogs EURO-CELTIQUE, S.A. (LU) 2005-03-15 — — US disclosed
EP-1379246-A1 NOCICEPTIN ANALOGS Euro-Celtique S.A. (LU) 2004-01-14 — — EP disclosed
US-20030069249-A1 Nociceptin analogs PURDUE PHARMA L.P. 2003-04-10 — — US disclosed
WO-2002085357-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE, S.A. (LU) 2002-10-31 — — 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 (4 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-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 ADRA1A 116/4885HTR2A 159/4885SCN1A 107/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 ADRA1A 116/4885HTR2A 159/4885SCN1A 107/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 ADRA1A 85/4885HTR2A 167/4885SCN1A 61/4885
US-20050159452-A1 Nociceptin analogs OPRL1, NPY1R, NPBWR1 ADRA1A 116/4885HTR2A 159/4885SCN1A 107/4885

“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.