SCHEMBL7364212

SCHEMBL7364212

NCC1NCCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.65
SLC22A1 O15245 1/20 0.65
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
RET P07949 1/20 0.53
HTR2A P28223 1/20 0.53
OPRM1 P35372 8/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48

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
SCHEMBL17776133 1.00 PRCP (0.65) PRCPSLC22A1ADRB2ADRB1ADRB3
SCHEMBL31482774 1.00 PRCP (0.65) PRCPSLC22A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL31397779 0.98 PRCP (0.63) PRCPSLC22A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL31482772 0.98 PRCP (0.63) PRCPSLC22A1ADRB2ADRB1ADRB3
Bromide SCHEMBL31482773 0.98 PRCP (0.63) PRCPSLC22A1ADRB2ADRB1ADRB3
Oxalic Acid SCHEMBL31482775 0.91 OPRM1 (0.59) PRCPSLC22A1ADRB2ADRB1ADRB3
Maleic Acid SCHEMBL31563607 0.87 OPRM1 (0.55) PRCPSLC22A1ADRB2ADRB1ADRB3
SCHEMBL13977536 0.83 PRCP (0.67) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL16455043 0.81 PRCP (0.68) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL10434781 0.81 PRCP (0.65) PRCPSLC22A1OPRM1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395496-A1 PIPERIDINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US claimed
CN-114401954-A Piperidinylamine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-04-26 CN claimed
CN-1072679-C Aza steroid preparation and its use UNIV CHONGQING MEDICAL (CN) 2001-10-10 CN claimed
CN-1124251-A Aza steroid preparation and its use UNIV CHONGQING MEDICAL (CN) 1996-06-12 CN claimed
WO-1993002707-A1 NEW ANTI-DIARRHEIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-02-18 WO claimed
JP-5239030-A None JP disclosed
US-20220395496-A1 PIPERIDINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
CN-114401954-A Piperidinylamine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
CN-111171027-B Preparation method of (R) -praziquantel 浙江工业大学 2021-07-30 CN disclosed
WO-2021052892-A1 PIPERIDINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-03-25 WO disclosed
CN-111171027-A Preparation method of (R) -praziquantel 浙江工业大学 2020-05-19 CN disclosed
US-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-24 US disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 WO disclosed
JP-H05239030-A AMINOMETHYLTETRAHYDROISOQUINOLINE DERIVATIVE AND ITS PRODUCTION ASAHI BREWERIES LTD 1993-09-17 JP disclosed
US-4497952-A Process for the production of (±)-4-oxo-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoline derivatives KOREA ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1985-02-05 US disclosed
US-4362875-A Process for preparing (1-acylaminomethyl)-1,2,3,4-tetrahydroisoquinolines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-12-07 US disclosed
US-4362875-A Process for preparing (1-acylaminomethyl)-1,2,3,4-tetrahydroisoquinolines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-12-07 US disclosed
US-4162319-A ANTHELMINTICS, PSYCHOTROPIC, CNS, HYPOGLYCOMIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-07-24 US disclosed
US-4120961-A ANTIHELMINTICS, CNS ACITVITY E. MERCK (DE) 1978-10-17 US disclosed
US-4051243-A RING SUBSTITUTED PYRAZINO-ISOQUINOLINE DERIVATIVES AND THEIR PREPARATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 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-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists OPRL1, OPRM1, OPRK1 PRCP 2247/4885SLC22A1 2574/4885ADRB2 132/4885
US-20220395496-A1 PIPERIDINYL AMINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE ARG1, PRMT1, HRH3 PRCP 2196/4885SLC22A1 1242/4885ADRB2 345/4885

“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.