Sugi Predict

Sugi Predict / Compounds / SCHEMBL1738752

SCHEMBL1738752

SCHEMBL1738752

OC1(c2ccc(Br)cc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.49
▸ OPRK1 P41145 3/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ OPRL1 P41146 2/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL1740643 0.98 OPRM1 (0.50) OPRM1OPRK1OPRD1OPRL1HRH3
SCHEMBL748761 0.93 OPRM1 (0.50) OPRM1OPRK1OPRD1OPRL1HRH3
SCHEMBL5751317 0.90 OPRM1 (0.43) OPRM1OPRK1OPRD1OPRL1HRH3
SCHEMBL12526871 0.88 OPRM1 (0.53) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL15573716 0.88 OPRM1 (0.53) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL5821025 0.88 OPRM1 (0.44) OPRM1OPRK1OPRD1OPRL1HRH3
SCHEMBL20335391 0.79 OPRM1 (0.44) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL6752708 0.79 ESR1 (0.64) OPRM1OPRK1OPRL1HRH3ESR1
SCHEMBL6058583 0.79 ESR1 (0.64) OPRM1HRH3CA12CA1CA2
SCHEMBL25356567 0.78 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 — — EP claimed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 — — EP claimed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 — — WO claimed
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 — — US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 — — US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 — — US disclosed
EP-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 — — EP disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 — — CN disclosed
WO-2021108483-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-06-03 — — WO disclosed
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2017-10-19 — — US disclosed
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LTD (GB) 2016-09-01 — — US disclosed
WO-2010086820-A1 4-AMINO-5-OXO-7, 8-DIHYDROPYRIMIDO [5,4-F] [1,4] OXAZEPIN-6 (5H) -YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF PFIZER INC. (US) 2010-08-05 — — WO disclosed
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 — — US disclosed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 — — US disclosed
EP-1727794-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES Pfizer Products Incorporated (US) 2006-12-06 — — EP disclosed
WO-2006048727-A1 PIPERAZINYLPHENALKYL LACTAM/AMINE LIGANDS FOR THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2006-05-11 — — WO disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 — — US disclosed
WO-2005090300-A1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-09-29 — — WO disclosed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 — — EP disclosed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 — — WO 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 (6 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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C OPRM1 22/4885OPRK1 32/4885OPRD1 47/4885
US-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A OPRM1 37/4885OPRK1 22/4885OPRD1 15/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI OPRM1 457/4885OPRK1 968/4885OPRD1 1228/4885
US-20160250187-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 OPRM1 937/4885OPRK1 254/4885OPRD1 412/4885
US-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 OPRM1 4145/4885OPRK1 3476/4885OPRD1 2715/4885
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 OPRM1 2829/4885OPRK1 1945/4885OPRD1 2670/4885

“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.