Sugi Predict

Sugi Predict / Compounds / SCHEMBL8017602

SCHEMBL8017602

SCHEMBL8017602

CC(=O)N[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ P2RX7 Q99572 1/20 0.54
▸ MMP9 P14780 5/20 0.53
▸ MMP1 P03956 4/20 0.53
▸ MMP2 P08253 4/20 0.53
▸ MMP8 P22894 4/20 0.53
▸ NAMPT P43490 1/20 0.51
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50
▸ NCSTN Q92542 1/20 0.50
▸ APH1A Q96BI3 1/20 0.50
▸ PSENEN Q9NZ42 1/20 0.50
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47

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
SCHEMBL8838880 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL29676862 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL2442157 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL7740807 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL885306 1.00 MEN1 (0.54) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL3328510 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL5802535 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL18141994 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL1665424 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9
SCHEMBL17923298 0.85 NAMPT (0.52) MEN1ALDH1A1KMT2AP2RX7MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111934-A1 HETEROCYCLIC MORPHINAN DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2018-04-26 — — US disclosed
EP-2931724-B1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA LP (US) 2017-01-25 — — EP disclosed
US-9403824-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2016-08-02 — — US disclosed
US-9359317-B2 Small molecule inhibitors of HIV proteases PURDUE RESEARCH FOUNDATION (US) 2016-06-07 — — US disclosed
US-9340542-B2 Propellane-based compounds and the use thereof PURDUE PHARMA L.P. (US) 2016-05-17 — — US disclosed
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA L.P. 2015-07-23 — — US disclosed
US-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2015-07-02 — — US disclosed
WO-2015097546-A1 PROPELLANE-BASED COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR MODULATORS PURDUE PHARMA L.P. (US) 2015-07-02 — — WO disclosed
US-8980906-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2015-03-17 — — US disclosed
EP-2435411-B1 2,4-DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INT (DE) 2014-10-29 — — EP disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
US-8410126-B2 Pyrimidine inhibitors of PKTK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-02 — — US disclosed
US-20110130401-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 — — US disclosed
US-20110046199-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES PURDUE RESEARCH FOUNDATION (US) 2011-02-24 — — US disclosed
WO-2010136559-A1 2, 4 -DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-02 — — WO disclosed
WO-2009091941-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES PURDUE RESEARCH FOUNDATION (US) 2009-07-23 — — WO disclosed
EP-0658537-B1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI KAGAKU KK (JP) 1999-03-31 — — EP disclosed
US-5760242-A Method of producing a cis-oxazoline ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1998-06-02 — — US disclosed
US-5648534-A Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1997-07-15 — — US disclosed
EP-0658537-A1 Method of producing cis-1-aminoindan-2-ol ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-06-21 — — EP 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 (5 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-20180111934-A1 HETEROCYCLIC MORPHINAN DERIVATIVES AND USE THEREOF OPRM1, OPRL1, OPRD1 MEN1 3143/4885ALDH1A1 626/4885KMT2A 2739/4885
US-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF OPRL1, OPRK1, OPRD1 MEN1 3121/4885ALDH1A1 214/4885KMT2A 4550/4885
US-20110046199-A1 SMALL MOLECULE INHIBITORS OF HIV PROTEASES SERPINB1, PRSS1, TMPRSS15 MEN1 4536/4885ALDH1A1 3984/4885KMT2A 3601/4885
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS OPRM1, OPRK1, OPRL1 MEN1 4434/4885ALDH1A1 704/4885KMT2A 1879/4885
US-20110130401-A1 NEW CHEMICAL COMPOUNDS RB1, MKI67, CCNA1 MEN1 163/4885ALDH1A1 717/4885KMT2A 2189/4885

“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.