Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048647

SCHEMBL4048647

SCHEMBL4048647

BrCCc1cc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.60
▸ AGXT P21549 1/20 0.55
▸ HTR2B P41595 4/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ CYP19A1 P11511 1/20 0.45
▸ DRD2 P14416 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ MAOB P27338 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ FLT3 P36888 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6214405 0.89 LOXL2 (0.56) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL119196 0.83 LOXL2 (0.64) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL4049122 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL6243293 0.80 LOXL2 (0.66) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL140395 0.80 LOXL2 (0.71) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL2249038 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL9037490 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL6013090 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL297312 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL29405407 0.80 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122213-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-04-17 — — US disclosed
US-12195478-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-01-14 — — US disclosed
EP-4487913-A2 OPIOID RECEPTOR MODULATORS The Trustees Of Columbia University In The City Of New York (US) 2025-01-08 — — EP disclosed
EP-3224261-B1 OPIOID RECEPTOR MODULATORS UNIV COLUMBIA (US) 2024-09-18 — — EP disclosed
US-11840541-B2 Opioid receptor modulators THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-12 — — US disclosed
US-20230271976-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-08-31 — — US disclosed
US-20170334923-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-11-23 — — US disclosed
EP-3224261-A1 OPIOID RECEPTOR MODULATORS The Trustees of Columbia University in the City of New York (US) 2017-10-04 — — EP disclosed
US-9598419-B1 Imidazotriazine and imidazodiazine compounds UNIVERSITE DE MONTREAL (CA) 2017-03-21 — — US disclosed
WO-2016086158-A1 OPIOID RECEPTOR MODULATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-06-02 — — WO disclosed
CN-101048158-A Thiazole based inhibitors of ATP-utilizing enyzmes GENENTECH INC (US) 2007-10-03 — — CN disclosed
EP-1697379-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2006-09-06 — — EP disclosed
US-20050187281-A1 Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2005-08-25 — — US disclosed
WO-2005063769-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2005-07-14 — — WO disclosed
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 — — EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 — — US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 — — EP disclosed
US-4122256-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-24 — — US disclosed
US-4052433-A INTERMEDIATES FOR BENZOFURANS HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 — — US disclosed
US-3994879-A CONDENSING AZOMETHINES, OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-11-30 — — 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 (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-12195478-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 LOXL2 965/4885AGXT 1762/4885HTR2B 90/4885
US-20170334923-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 LOXL2 959/4885AGXT 1032/4885HTR2B 88/4885
US-20250122213-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 LOXL2 965/4885AGXT 1762/4885HTR2B 90/4885
US-20230271976-A1 OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 LOXL2 965/4885AGXT 1762/4885HTR2B 90/4885
US-11840541-B2 Opioid receptor modulators OPRM1, OPRL1, OPRD1 LOXL2 959/4885AGXT 1032/4885HTR2B 88/4885
US-20050187281-A1 Spirocyclic cyclohexane derivatives PKD2, PKD1, VKORC1 LOXL2 3937/4885AGXT 3537/4885HTR2B 2255/4885

“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.