SCHEMBL9913091

SCHEMBL9913091

O=C1c2ccccc2C(=O)N1CC1NCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.52
SLC22A1 O15245 1/20 0.52
ALDH1A1 P00352 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
OPRM1 P35372 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
KEAP1 Q14145 3/20 0.46
NFE2L2 Q16236 1/20 0.46
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL30952112 1.00 PRCP (0.52) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL14933933 1.00 PRCP (0.52) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL3847930 0.89 PRCP (0.45) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL14934054 0.86 PRCP (0.50) PRCPSLC22A1ALDH1A1OPRM1SMN1; SMN2
SCHEMBL14934071 0.86 PRCP (0.50) PRCPSLC22A1ALDH1A1OPRM1SMN1; SMN2
SCHEMBL19025988 0.84 RAB9A (0.39) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL19026595 0.84 RAB9A (0.39) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL19025986 0.84 RAB9A (0.39) PRCPSLC22A1ALDH1A1NPSR1MAPT
SCHEMBL16017694 0.82 PRCP (0.49) PRCPSLC22A1ALDH1A1MAPTOPRM1
SCHEMBL25321589 0.81 OPRM1 (0.47) KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112789276-A Analgesic compounds, their preparation and their pharmaceutical use 上海海雁医药科技有限公司 2021-05-11 CN disclosed
WO-2021027304-A1 ANALGESIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2021-02-18 WO disclosed
WO-2021027304-A1 ANALGESIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2021-02-18 WO disclosed
US-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-24 US disclosed
US-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-24 US disclosed
US-20190077786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2019-03-14 US disclosed
US-20190077786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2019-03-14 US disclosed
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-10-23 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 US disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO disclosed
WO-2013067036-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-05-10 WO disclosed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 US disclosed
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE SRIVASTAVA INDRESH K (US) 2012-11-01 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
US-8197819-B2 Exposure of epitopes on envelop protein; complex of polypeptide and antigen; induce immunology response NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-06-12 US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 US disclosed
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2008-08-21 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 (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-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists OPRL1, OPRM1, OPRK1 PRCP 2247/4885SLC22A1 2574/4885ALDH1A1 1359/4885
US-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885ALDH1A1 1021/4885
US-10106502-B2 Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885ALDH1A1 1021/4885
US-20080199492-A1 Env Polypeptide Complexes and Methods Of Use CD4, CD74, HAVCR2 PRCP 348/4885SLC22A1 4555/4885ALDH1A1 4880/4885
US-20190077786-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF OPRM1, OPRL1, OPRK1 PRCP 1104/4885SLC22A1 1405/4885ALDH1A1 347/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 PRCP 2778/4885SLC22A1 2616/4885ALDH1A1 1021/4885
US-20120276141-A1 ENV POLYPEPTIDE COMPLEXES AND METHODS OF USE CD4, CD74, HAVCR2 PRCP 348/4885SLC22A1 4555/4885ALDH1A1 4880/4885

“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.