Sugi Predict

Sugi Predict / Compounds / SCHEMBL852471

SCHEMBL852471

SCHEMBL852471

O=C1CC2CCC(C1)N2C1CCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ OPRM1 P35372 5/20 0.33
▸ OPRD1 P41143 5/20 0.33
▸ OPRK1 P41145 5/20 0.33
▸ OPRL1 P41146 3/20 0.33

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
SCHEMBL551494 1.00 MAPK1 (0.52) MAPK1ALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL1849732 1.00 MAPK1 (0.52) MAPK1ALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL13177751 1.00 MAPK1 (0.52) MAPK1ALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL15847688 0.95 MAPK1 (0.58) MAPK1ALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL13221771 0.95 MAPK1 (0.58) MAPK1ALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL3413434 0.93 MAPK1 (0.60) MAPK1KMT2AMEN1CYP2D6OPRM1
SCHEMBL3415585 0.90 MAPK1 (0.48) MAPK1ALDH1A1KMT2AMEN1POLB
SCHEMBL853501 0.83 MAPK1 (0.45) MAPK1ALDH1A1SMN1; SMN2KMT2ACYP3A4
SCHEMBL21547917 0.79 KMT2A (0.41) ALDH1A1SMN1; SMN2KMT2ACYP3A4CYP2C9
SCHEMBL15842208 0.77 MAPK1 (0.53) MAPK1KMT2AMEN1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 — — EP disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 — — EP disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 — — US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 — — US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 — — US disclosed
US-9598447-B2 Phosphorus-substituted quinoxaline-type piperidine compounds and uses thereof PURDUE PHARMA L.P. (US) 2017-03-21 — — US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 — — US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 — — US disclosed
US-9527840-B2 Substituted-quinoxaline-type piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2016-12-27 — — US disclosed
EP-3101018-A1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF Purdue Pharma L.P. (US) 2016-12-07 — — EP disclosed
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2014-05-08 — — US disclosed
EP-2654751-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF Purdue Pharma L.P. (US) 2013-10-30 — — EP disclosed
WO-2013080036-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-06-06 — — WO disclosed
WO-2012085648-A9 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2013-03-21 — — WO disclosed
WO-2012085648-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF PURDUE PHARMA L.P. (US) 2012-06-28 — — WO disclosed
EP-2433937-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 — — EP disclosed
EP-2433936-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 — — EP disclosed
EP-2433935-A1 Substituted-quinoxaline-type-piperidine compounds and the uses thereof Purdue Pharma LP (US) 2012-03-28 — — EP disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 — — US disclosed
US-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof PURDUE PHARMA L.P. (US) 2010-08-26 — — US 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 (2 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-20100216726-A1 Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof P2RX4, P2RX5, P2RX3 MAPK1 2831/4885ALDH1A1 889/4885SMN1; SMN2 612/4885
US-20140128346-A1 PHOSPHORUS-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF P2RX4, P2RX1, P2RX5 MAPK1 1098/4885ALDH1A1 2546/4885SMN1; SMN2 1849/4885

“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.