SCHEMBL186127

SCHEMBL186127

OC1(c2cccc(C(F)(F)F)c2)CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.56
OPRM1 P35372 9/20 0.53
OPRK1 P41145 4/20 0.52
OPRD1 P41143 4/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
TACR1 P25103 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM1A O60341 2/20 0.47

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
SCHEMBL31322451 1.00 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1DRD2
Hydrochloric Acid SCHEMBL4818869 0.98 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1DRD2
Hydrochloric Acid SCHEMBL23411250 0.97 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL8086617 0.91 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL31557722 0.88 OPRL1 (0.62) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL15689691 0.87 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1DRD2
Tert-Butyl Formate SCHEMBL28790580 0.86 OPRL1 (0.46) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL30227020 0.85 OPRL1 (0.59) OPRL1OPRM1OPRK1OPRD1NPC1
SCHEMBL26706222 0.85 OPRL1 (0.59) OPRL1OPRM1OPRK1OPRD1NPC1
SCHEMBL18767237 0.83 OPRL1 (0.61) OPRL1OPRM1OPRK1OPRD1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN claimed
US-4556656-A HYPOTENSIVE, ANTIPSYCHOTIC, DIABETIC, AND ANALGESIC AGENTS THE UPJOHN COMPANY (US) 1985-12-03 US claimed
US-4284638-A Pharmaceutical compositions with central depressant and antipsychotic activity having a butyrophenone derivative which is substituted in the 4-position and a C-(2-benzofuranyl)-piperidine or C-(2-benzofuranyl)-tetrahydro-pyridine CIBA-GEIGY CORPORATION (US) 1981-08-18 US claimed
US-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME SHANGHAI RAISING PHARMACEUTICAL CO LTD (CN) 2025-12-25 US disclosed
EP-4556007-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME Shanghai Raising Pharmaceutical Co., Ltd. (CN) 2025-05-21 EP disclosed
CN-119497615-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 2025-02-21 CN disclosed
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN disclosed
US-11998539-B2 Substituted aminoquinolones as DGKalpha inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-06-04 US disclosed
WO-2024012554-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME 上海日馨医药科技股份有限公司 2024-01-18 WO disclosed
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
US-4179510-A ISOCHROMANS AND 2-BENZOXEPINS THE UPJOHN COMPANY (US) 1979-12-18 US disclosed
US-4166853-A Antihypertensive 7-trifluoromethyl-4-aminoquinolones THE UPJOHN COMPANY (US) 1979-09-04 US disclosed
US-4166062-A HYPOTENSIVE AGENTS, CNS, ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-08-28 US disclosed
US-4153612-A 2-Benzoxepins THE UPJOHN COMPANY (US) 1979-05-08 US disclosed
US-4120969-A ANALGETIC, ANTIDIARRHEAL ACTIVITY A. H. ROBINS COMPANY, INCORPORATED (US) 1978-10-17 US disclosed
US-4075346-A CNS depressant γ-(secondary amino)-ortho-nitro-butyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-02-21 US disclosed
US-4039670-A BUTYROPHENONE COMPOUNDS AS PSYCHOTROPICS SUMITOMO CHEMICAL CO., LTD. (JA) 1977-08-02 US disclosed
US-4016281-A Tetralone and indanone compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-04-05 US disclosed
US-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 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-11998539-B2 Substituted aminoquinolones as DGKalpha inhibitors for immune activation DGKK, DGKG, DGKA OPRL1 4460/4885OPRM1 4717/4885OPRK1 2472/4885
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 OPRL1 1467/4885OPRM1 2108/4885OPRK1 1862/4885
US-20230201186-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION DGKK, DGKG, DGKA OPRL1 4460/4885OPRM1 4717/4885OPRK1 2472/4885
US-20250388584-A1 TPK AGONIST AND METHOD FOR TREATING NEURODEGENERATIVE DISEASES USING SAME PDXK, SLC19A2, NADK OPRL1 299/4885OPRM1 668/4885OPRK1 34/4885

“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.