SCHEMBL1011090

SCHEMBL1011090

CCC1NCCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRCP P42785 5/20 0.68
SLC22A1 O15245 1/20 0.65
OPRM1 P35372 9/20 0.54
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
OPRK1 P41145 1/20 0.52

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
SCHEMBL29768301 1.00 PRCP (0.68) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL16455043 1.00 PRCP (0.68) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL10226238 1.00 PRCP (0.68) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL1009943 0.86 PRCP (0.64) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL13977536 0.83 PRCP (0.67) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL27985631 0.83 PRCP (0.60) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL6429588 0.82 PRCP (0.59) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL10434781 0.81 PRCP (0.65) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL1717271 0.81 PRCP (0.65) PRCPSLC22A1OPRM1GAAALDH1A1
SCHEMBL4020963 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 US disclosed
CN-114671807-A Preparation method of 1-substituted isoquinoline compound 联化科技(德州)有限公司 2022-06-28 CN disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-08-19 US disclosed
EP-3793550-A2 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-03-24 EP disclosed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 EP disclosed
US-20180110791-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2018-04-26 US disclosed
CN-104327046-B Triazole N ethyl tetrahydroisoquinolicompounds compounds and its preparation method and application 中国药科大学 2017-11-17 CN disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
EP-0983244-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2000-03-08 EP disclosed
WO-1998050364-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
US-5686458-A Quinazoline deriviates for treating peptic ulcer YUHAN CORPORATION (KR) 1997-11-11 US disclosed
EP-0677049-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1995-10-18 EP disclosed
WO-1994014795-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION (KR) 1994-07-07 WO disclosed
EP-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP disclosed
US-4755218-A Reducing acetochlor injury to corn by applying with antidote MONSANTO COMPANY (US) 1988-07-05 US disclosed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP disclosed
US-4062961-A SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES SMITHKLINE CORPORATION (US) 1977-12-13 US disclosed
US-3988339-A 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE SMITHKLINE CORPORATION (US) 1976-10-26 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 (3 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-20180110791-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 PRCP 44/4885SLC22A1 2499/4885OPRM1 4351/4885
US-20210251991-A1 SUBSTITUTED 2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, CDV3, HMBS PRCP 1432/4885SLC22A1 2180/4885OPRM1 4429/4885
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK PRCP 2585/4885SLC22A1 3721/4885OPRM1 4451/4885

“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.