Sugi Predict

Sugi Predict / Compounds / SCHEMBL61975

SCHEMBL61975

SCHEMBL61975

CC(N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.56
▸ PNMT P11086 1/20 0.50
▸ AHR P35869 1/20 0.46
▸ SLC6A4 P31645 5/20 0.46
▸ SLC6A2 P23975 4/20 0.46
▸ SLC6A3 Q01959 4/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ TDO2 P48775 1/20 0.44
▸ IDO2 Q6ZQW0 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL29453111 1.00 ADRB2 (0.56) ADRB2PNMTAHRSLC6A4SLC6A2
SCHEMBL5862322 1.00 ADRB2 (0.56) ADRB2PNMTAHRSLC6A4SLC6A2
SCHEMBL3181409 1.00 ADRB2 (0.56) ADRB2PNMTAHRSLC6A4SLC6A2
Hydrochloric Acid SCHEMBL3704821 0.98 ADRB2 (0.54) ADRB2PNMTAHRSLC6A4SLC6A2
SCHEMBL7872122 0.85 SLC6A2 (0.44) ADRB2PNMTSLC6A4SLC6A2SLC6A3
SCHEMBL8207250 0.84 ALDH1A1 (0.56) ADRB2AHRSLC6A4SLC6A2SLC6A3
SCHEMBL1565324 0.82 SLC6A4 (0.47) ADRB2PNMTAHRSLC6A4SLC6A2
SCHEMBL13075535 0.82 ADRB2 (0.52) ADRB2PNMTSLC6A4SLC6A2SLC6A3
SCHEMBL8185537 0.82 ADRB2 (0.52) ADRB2PNMTSLC6A4SLC6A2SLC6A3
SCHEMBL10362116 0.82 ADRB2 (0.52) ADRB2PNMTSLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 — — US claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 — — EP claimed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 — — EP claimed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 — — US claimed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 — — EP claimed
EP-0848065-B1 Method for improving optical purity of an amine compound SUMITOMO CHEMICAL CO (JP) 2003-04-02 — — EP claimed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 — — WO claimed
US-5965432-A PREFERENTIALLY METABOLIZING (S) ENANTOMORPH OF MIXTURE USING CULTURE OF ARTHROBACTER, CULTURE LIQUID, GEL IMMOBILIZED CELLS, FREEZE-DRIED OR ACETONE-DRIED CELLS, GROUND OR AUTODIGESTED CELLS, ULTRASONIC TREATED OR EXTRACTED CELLS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-12 — — US claimed
EP-0848065-A2 Method for improving optical purity of an amine compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-06-17 — — EP claimed
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR CEREVANCE INC (US) 2025-09-11 — — US disclosed
EP-4514788-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR Cerevance, Inc. (US) 2025-03-05 — — EP disclosed
CN-118121699-A TPK agonists and methods of using the same for treating neurodegenerative diseases 上海日馨医药科技股份有限公司 2024-06-04 — — CN disclosed
US-20240158372-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. 2024-05-16 — — US disclosed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 — — CN disclosed
EP-0391187-A2 Substituted 4-amino-5-alkylthio-1,2,4-triazol-3-ones BAYER AG (DE) 1990-10-10 — — EP disclosed
US-4941910-A 4-halo-2-oxy or sulfonyl-4-amino substituted pyrimidines as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 — — US disclosed
EP-0355351-A2 Process for the preparation of amines BAYER AG (DE) 1990-02-28 — — EP disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 — — US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 — — EP disclosed
US-4191765-A 1-Aryloxy-2-hydroxy-3-aminopropanes HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 — — 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-20240158372-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF TNNI3, TNNT2, TNNC1 ADRB2 397/4885PNMT 3690/4885AHR 4333/4885
US-20250282728-A1 NITROGEN COMPRISING HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH GPR55 RECEPTOR GPR55, GPR68, GPR65 ADRB2 45/4885PNMT 1147/4885AHR 214/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A ADRB2 2223/4885PNMT 1540/4885AHR 531/4885

“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.