SCHEMBL615556

SCHEMBL615556

c1cnc(C2CCNCC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR2C P28335 4/20 0.45
HTR1A P08908 7/20 0.45
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 3/20 0.45
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL18952739 0.98 HTR2C (0.47) SLC18A3SIGMAR1HTR2CHTR1ASLC6A2
SCHEMBL1741786 0.86 HTR3A (0.42) SLC18A3SIGMAR1HTR2CHTR1ASLC6A2
SCHEMBL29889400 0.86 HTR3A (0.42) SLC18A3SIGMAR1HTR2CHTR1ASLC6A2
Hydrochloric Acid SCHEMBL2654549 0.85 HTR3A (0.41) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL935722 0.82
Hydrochloric Acid SCHEMBL29162507 0.79 OPRL1 (0.36) KDM4E
SCHEMBL3783902 0.79 HRH3 (0.44) SLC18A3SIGMAR1HTR2CHRH3
SCHEMBL31736812 0.77 SLC18A3 (0.48) SLC18A3SIGMAR1HTR2CHRH3
SCHEMBL1444138 0.77 KDM4E (0.38) KDM4EALDH1A1
SCHEMBL676894 0.77 KDM4E (0.43) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731223-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY Universitat De Barcelona (ES) 2026-04-29 EP disclosed
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
WO-2024261340-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY UNIVERSITAT DE BARCELONA (ES) 2024-12-26 WO disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
CN-116490186-A Compounds for targeted degradation of RET C4医药公司 2023-07-25 CN disclosed
EP-4192458-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 Therapeutics, Inc. (US) 2023-06-14 EP disclosed
US-11352357-B2 Cycloalkylurea derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
US-6114522-A DEPROTONIZING A BEZOXAZEPINE DERIVATIVE WITH A BASE, REACTING THE DEPROTONIZED PRODUCT WITH A PHOSPHATE HALIDE TO PRODUCE AN INTERMEDIATE, REACTING INTERMEDIATE WITH A COMPLEX OF HALOGEN AND TRIALKYL OR ARYL PHOSPHINE SUNTORY LIMITED (JP) 2000-09-05 US disclosed
CN-1236363-A Process for production of 4-substituted-3-halogeno-1, 4-benzoxazepine derivative and salts thereof SUNTORY LTD (JP) 1999-11-24 CN disclosed
EP-0925288-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-06-30 EP disclosed
WO-1999003847-A1 PROCESS OF PRODUCTION OF 4-SUBSTITUTED-3-HALOGENO-1,4-BENZOXAZEPINE DERIVATIVE AND SALTS THEREOF SUNTORY LIMITED (JP) 1999-01-28 WO disclosed
EP-0640599-B1 4-Aminopyrimidine derivatives ONO PHARMACEUTICAL CO (JP) 1998-03-04 EP disclosed
EP-0755930-A1 BENZOXAZEPINE DERIVATIVES, SALTS THEREOF, AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-01-29 EP disclosed
US-5525604-A USED IN PREVENTION OR TREATMENT OF THROMBOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASES, GASTRIC ULCER OR HYPERTENSION ONO PHARMACEUTICAL CO., LTD. (JP) 1996-06-11 US disclosed
CN-1109055-A 4-aminopyrimidine derivatives ONO PHARMACEUTICAL CO (JP) 1995-09-27 CN disclosed
EP-0640599-A1 4-Aminopyrimidine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1995-03-01 EP disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 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 (4 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 SLC18A3 919/4885SIGMAR1 2679/4885HTR2C 235/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 SLC18A3 919/4885SIGMAR1 2679/4885HTR2C 235/4885
US-11352357-B2 Cycloalkylurea derivative HCRTR2, HCRTR1, CRHR2 SLC18A3 376/4885SIGMAR1 107/4885HTR2C 50/4885
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET RET, HRAS, RBX1 SLC18A3 3182/4885SIGMAR1 3512/4885HTR2C 3980/4885

“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.