SCHEMBL171507

SCHEMBL171507

OC1(c2ccccn2)CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
TSHR P16473 3/20 0.45
USP2 O75604 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCR1 P32246 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL29602661 1.00 OPRM1 (0.53) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL2224231 0.98 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL20744290 0.98 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL30305364 0.98 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Formic Acid SCHEMBL3905110 0.92 OPRM1 (0.47) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Trifluoroacetic Acid SCHEMBL9023712 0.87 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL24455261 0.86 OPRM1 (0.60) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL536677 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL537135 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29980976 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235384-A1 COMPOUNDS FOR ENHANCING READ THROUGH OF GENES CONTAINING PREMATURE TERMINATION CODONS AND METHODS FOR MAKING AND USING THE SAME SANOFI US SERVICES INC. (US) 2023-12-07 WO disclosed
US-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 EP disclosed
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
US-11352357-B2 Cycloalkylurea derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
CN-110312719-B Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-04-15 CN disclosed
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-03-17 US disclosed
EP-3668853-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-09-29 EP disclosed
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2021-07-08 US disclosed
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JANSSEN PHARMACEUTICA NV (BE) 2021-04-20 US disclosed
EP-0807111-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1997-11-19 EP disclosed
US-5641777-A NEUROKININ RECEPTOR ANTAGONIST SANOFI (FR) 1997-06-24 US disclosed
WO-1997010211-A1 NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1997-03-20 WO disclosed
WO-1996023787-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI (FR) 1996-08-08 WO disclosed
EP-0700386-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1996-03-13 EP disclosed
WO-1995026338-A1 NEUROKININ RECEPTOR ANTAGONISTS SANOFI (FR) 1995-10-05 WO disclosed
EP-0673928-A1 Novel N-(3,4-dichlorophenyl-propyl)-piperidine derivatives as selective human NK3-receptor antagonists SANOFI (FR) 1995-09-27 EP disclosed
EP-0027928-B1 PIPERIDINE DERIVATIVES OF 4,5-DIALKYL-3-HYDROXY-PYRROLE-2-CARBOXYLIC ACID ESTERS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BASF Aktiengesellschaft (DE) 1983-03-09 EP disclosed
US-4315939-A Piperidine derivatives of 4,5-dialkyl-3-hydroxy-pyrrole-2-carboxylic acid esters, pharmaceutical formulations containing these compounds and use in treating cardiac arrhythmias BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
EP-0027928-A2 Piperidine derivatives of 4,5-dialkyl-3-hydroxy-pyrrole-2-carboxylic acid esters, their preparation and pharmaceutical compositions containing them BASF Aktiengesellschaft (DE) 1981-05-06 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-11827638-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 OPRM1 2548/4885OPRD1 1183/4885OPRK1 648/4885
US-20210206768-A1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JAK1, JAK2, JAK3 OPRM1 2548/4885OPRD1 1183/4885OPRK1 648/4885
US-10981911-B2 Imidazopyrrolopyridine as inhibitors of the JAK family of kinases JAK1, JAK2, JAK3 OPRM1 2548/4885OPRD1 1183/4885OPRK1 648/4885
US-11352357-B2 Cycloalkylurea derivative HCRTR2, HCRTR1, CRHR2 OPRM1 170/4885OPRD1 125/4885OPRK1 79/4885
US-20220081441-A1 CYCLOALKYLUREA DERIVATIVE HCRTR2, HCRTR1, CRHR2 OPRM1 170/4885OPRD1 125/4885OPRK1 79/4885

“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.