Sugi Predict

Sugi Predict / Compounds / SCHEMBL1866331

SCHEMBL1866331

SCHEMBL1866331

C/C=C1\C(=O)N(C2CCN(C3CC4CCC3C4)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 10/20 0.43
▸ DRD2 P14416 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ OPRM1 P35372 8/20 0.39
▸ OPRK1 P41145 8/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1866332 1.00 OPRL1 (0.43) OPRL1DRD2SLC6A4KDM4EOPRM1
SCHEMBL1855820 0.78 OPRL1 (0.49) OPRL1DRD2SLC6A4OPRM1OPRK1
SCHEMBL1855822 0.78 OPRL1 (0.49) OPRL1DRD2SLC6A4OPRM1OPRK1
SCHEMBL1855204 0.75 OPRL1 (0.60) OPRL1DRD2SLC6A4OPRM1OPRK1
SCHEMBL1855206 0.75 OPRL1 (0.60) OPRL1DRD2SLC6A4OPRM1OPRK1
SCHEMBL1863062 0.74 OPRL1 (0.60) OPRL1DRD2SLC6A4OPRM1OPRK1
SCHEMBL1863063 0.74 OPRL1 (0.60) OPRL1DRD2SLC6A4OPRM1OPRK1
SCHEMBL2604439 0.74 DRD2 (0.43) DRD2SLC6A4KDM4EALDH1A1
SCHEMBL2604438 0.74 DRD2 (0.44) OPRL1DRD2SLC6A4KDM4EOPRM1
SCHEMBL1857405 0.74 OPRM1 (0.67) OPRL1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 — — US claimed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 — — US claimed
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 claimed
EP-1598338-B1 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) 2009-02-18 — — EP claimed
EP-1918279-A2 1-(4-piperidinyl)-1,3-dihydro-2h-benzoxazole-2-one derivatives and related compounds as nociceptin analogs and opioid receptor like receptor (ORL1) ligands for the treatment of pain EURO-CELTIQUE S.A. (LU) 2008-05-07 — — EP claimed
EP-1598338-A1 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 S.A. (LU) 2005-11-23 — — EP claimed
US-20030069249-A1 Nociceptin analogs PURDUE PHARMA L.P. 2003-04-10 — — US 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
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 — — US disclosed
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 — — US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 — — 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-1598339-A1 1-(4-AMINO-CYCLOHEXYL)-1,3-DIHYDRO-2H-BENZIMIDAZOLE-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 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-20100105693-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 OPRL1 65/4885DRD2 532/4885SLC6A4 1290/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 OPRL1 1/4885DRD2 401/4885SLC6A4 475/4885
US-20030069249-A1 Nociceptin analogs OPRL1, NPY1R, OPRK1 OPRL1 1/4885DRD2 365/4885SLC6A4 621/4885
US-20050159452-A1 Nociceptin analogs OPRL1, NPY1R, NPBWR1 OPRL1 1/4885DRD2 401/4885SLC6A4 475/4885

“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.