SCHEMBL5454645

SCHEMBL5454645

C[C@@H]1[C@@H](O)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.44
OPRL1 P41146 6/20 0.42
OPRM1 P35372 6/20 0.42
SLC6A9 P48067 1/20 0.41
CYP2D6 P10635 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9107441 1.00 OPRD1 (0.44) OPRD1OPRL1OPRM1SLC6A9CYP2D6
SCHEMBL2278150 1.00 OPRD1 (0.44) OPRD1OPRL1OPRM1SLC6A9CYP2D6
SCHEMBL9099058 1.00 OPRD1 (0.44) OPRD1OPRL1OPRM1SLC6A9CYP2D6
SCHEMBL14663792 1.00 OPRD1 (0.44) OPRD1OPRL1OPRM1SLC6A9CYP2D6
SCHEMBL14663793 1.00 OPRD1 (0.44) OPRD1OPRL1OPRM1SLC6A9CYP2D6
SCHEMBL24802139 1.00 OPRD1 (0.44) OPRD1OPRL1OPRM1SLC6A9CYP2D6
SCHEMBL5454649 1.00 OPRD1 (0.44) OPRD1OPRL1OPRM1SLC6A9CYP2D6
Hydrochloric Acid SCHEMBL9760294 0.98 OPRD1 (0.43) OPRD1OPRL1OPRM1SLC6A9CYP2D6
Hydrochloric Acid SCHEMBL9760302 0.98 OPRD1 (0.43) OPRD1OPRL1OPRM1SLC6A9CYP2D6
Hydrochloric Acid SCHEMBL9760309 0.98 OPRD1 (0.43) OPRD1OPRL1OPRM1SLC6A9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250289801-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-09-18 US disclosed
EP-4359400-B1 SALT AND CRYSTAL FORM OF AN AZETIDINYL SUBSTITUTED ISOQUINLINE ACTING AS EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITOR FOR THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORP (US) 2025-07-02 EP disclosed
CN-119912478-A Amino heteroaryl macrocyclic compounds, preparation method and application thereof 北京鞍石生物科技股份有限公司 2025-05-02 CN disclosed
US-20250129047-A1 ISOQUINOLINE DERIVATIVES AS MUTANT EGFR MODULATORS AND USES THEREOF NEWAVE PHARMACEUTICAL INC (US) 2025-04-24 US disclosed
CN-119731165-A Indazole compounds 泰拉生物科学公司 2025-03-28 CN disclosed
CN-115135642-B Inhibitors of EGFR mutant forms 缆图药品公司 2025-03-04 CN disclosed
US-12172983-B2 EGFR inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2024-12-24 US disclosed
US-20240382483-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION 2024-11-21 US disclosed
CN-118871433-A Nitrogen-containing heterocyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-10-29 CN disclosed
US-20240308981-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER BLUEPRINT MEDICINES CORPORATION 2024-09-19 US disclosed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO disclosed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 US disclosed
EP-0406112-B1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity ESTEVE LABOR DR (ES) 1994-12-28 EP disclosed
US-5183902-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1993-02-02 US disclosed
US-5151418-A Muscle relaxants A. H. ROBINS COMPANY, INCORPORATED (US) 1992-09-29 US disclosed
US-5073646-A Chemical intermediates, microbiocides LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-12-17 US disclosed
US-5068231-A Ureas and thioureas for relaxing muscles A. H. ROBINS COMPANY INCORPORATED (US) 1991-11-26 US disclosed
EP-0406112-A1 1-Benzhydrylazetidines, their preparation and their use as intermediates for the preparation of compounds with antimicrobial activity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1991-01-02 EP disclosed
US-4956359-A CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES A. H. ROBINS COMPANY, INC. (US) 1990-09-11 US disclosed
EP-0194112-A1 3-Aryl-oxyazetidinecarboxamides having anti-muscle tension, anti-muscle spasticity, anticonvulsant and antiepilectic activity A.H. ROBINS COMPANY, INCORPORATED (US) 1986-09-10 EP 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-20250129047-A1 ISOQUINOLINE DERIVATIVES AS MUTANT EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB4 OPRD1 833/4885OPRL1 1116/4885OPRM1 1067/4885
US-12172983-B2 EGFR inhibitors EGFR, ERBB2, ERBB3 OPRD1 3765/4885OPRL1 3114/4885OPRM1 3616/4885
US-20240308981-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER EGFR, ERBB2, ERBB4 OPRD1 2945/4885OPRL1 1622/4885OPRM1 2332/4885
US-20240382483-A1 HETEROCYCLIC EGFR INHIBITORS FOR USE IN THE TREATMENT OF CANCER EGFR, ERBB2, ERBB4 OPRD1 2945/4885OPRL1 1622/4885OPRM1 2332/4885
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR OPRD1 340/4885OPRL1 1279/4885OPRM1 829/4885
US-20250289801-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 OPRD1 3765/4885OPRL1 3114/4885OPRM1 3616/4885

“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.