SCHEMBL6583115

SCHEMBL6583115

O[C@H]1CC[C@@H](c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.64
SLC18A3 Q16572 11/20 0.54
SIGMAR1 Q99720 2/20 0.54
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 1/20 0.52
APEX1 P27695 1/20 0.52
BLM P54132 1/20 0.52
AKR1C3 P42330 1/20 0.50
AKR1C1 Q04828 1/20 0.50

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
SCHEMBL2778652 1.00 ESR2 (0.64) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL557667 1.00 ESR2 (0.64) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL8727992 0.93 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL8727996 0.93 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
Hydrogen Peroxide SCHEMBL2353767 0.89 SLC18A3 (0.64) SLC18A3SIGMAR1CYP2D6TSHRSMN1; SMN2
SCHEMBL7265967 0.87 NPC1 (0.65) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL41763 0.87
SCHEMBL190417 0.87 SLC18A3 (0.67) SLC18A3SIGMAR1CYP2D6SMN1; SMN2AKR1C3
SCHEMBL17730101 0.86 AKR1C3 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR
SCHEMBL6404297 0.86 ESR2 (0.57) ESR2SLC18A3SIGMAR1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112961194-A PNO ligand containing chiral ferrocene and application thereof 洛阳师范学院 2021-06-15 CN claimed
EP-4199925-B1 CYCLOPENTAPYRROLE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-05-20 EP disclosed
US-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2026-02-17 US disclosed
EP-3924058-B1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-07 EP disclosed
US-20260001843-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2026-01-01 US disclosed
US-12497362-B2 Cyclopentapyrrole orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2025-12-16 US disclosed
US-12331018-B2 Pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2025-05-27 US disclosed
US-12281073-B2 Substituted piperidine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-22 US disclosed
US-20240360081-A1 SULFONAMIDE OREXIN RECEPTOR AGONISTS AND USES THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-10-31 US disclosed
US-6251897-B1 TREATING DERMATITIS, ASTHMA NIKKEN CHEMICALS CO., LTD (JP) 2001-06-26 US disclosed
EP-0928789-A1 6-PHENYLTETRAHYDRO-1,3-OXAZIN-2-ONE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-07-14 EP disclosed
EP-0924204-A1 2-PHENYLMORPHOLIN-5-ONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Nikken Chemicals Company, Limited (JP) 1999-06-23 EP disclosed
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed
US-5571815-A Substituted pyrimidines, process for their preparation, and their use as pesticides and fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
CN-1130901-A Substituted pyridines, their preparation and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1996-09-11 CN disclosed
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed
EP-0631575-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 1995-01-04 EP disclosed
WO-1993019050-A1 SUBSTITUTED PYRIMIDINES AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1993-09-30 WO 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 (7 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-12497362-B2 Cyclopentapyrrole orexin receptor agonists HCRTR2, HCRTR1, NPY1R ESR2 846/4885SLC18A3 491/4885SIGMAR1 417/4885
US-20240360081-A1 SULFONAMIDE OREXIN RECEPTOR AGONISTS AND USES THEREOF HCRTR1, HCRTR2, NPY1R ESR2 647/4885SLC18A3 699/4885SIGMAR1 74/4885
US-12552767-B2 3-heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, NPY1R ESR2 589/4885SLC18A3 612/4885SIGMAR1 110/4885
US-12281073-B2 Substituted piperidine compound and use thereof HCRTR2, HCRTR1, NTSR2 ESR2 913/4885SLC18A3 623/4885SIGMAR1 136/4885
US-20260001843-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NPBWR1 ESR2 3371/4885SLC18A3 316/4885SIGMAR1 76/4885
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, OXTR ESR2 609/4885SLC18A3 486/4885SIGMAR1 291/4885
US-12331018-B2 Pyrrolidine orexin receptor agonists HCRTR2, HCRTR1, OXTR ESR2 746/4885SLC18A3 427/4885SIGMAR1 311/4885

“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.