SCHEMBL461946

SCHEMBL461946

c1ccc2c(c1)CC1CCCCC21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.54
HTR2C P28335 6/20 0.54
HTR2B P41595 6/20 0.54
HRH3 Q9Y5N1 5/20 0.54
SIGMAR1 Q99720 8/20 0.46
PRCP P42785 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL7545824 0.98 HTR2A (0.53) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL352937 0.87 SIGMAR1 (0.47) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL22304223 0.83 HTR2A (0.51) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL2064332 0.82 SIGMAR1 (0.56) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL10785005 0.82 SIGMAR1 (0.60) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL11860825 0.81 HTR2A (0.45) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL21924071 0.80 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL6542145 0.80 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL4661810 0.80 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1
SCHEMBL30285859 0.80 SIGMAR1 (0.63) HTR2AHTR2CHTR2BHRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3729442-A1 MOLECULE-BASED EQUATION ORIENTED REACTOR SIMULATION SYSTEM AND ITS MODEL REDUCTION Aspen Technology, Inc. (US) 2020-10-28 EP claimed
US-20190228843-A1 Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-25 US claimed
US-8148551-B2 Tricyclic aromatics and liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-04-03 US claimed
US-20080260630-A1 Autothermal Hydrogen Storage and Delivery Systems AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-10-23 US claimed
EP-0900228-B1 A METHOD FOR PRODUCING OCTAHYDROFLUORENYL METAL COMPLEXES DOW CHEMICAL CO (US) 2002-06-12 EP claimed
EP-0900228-A1 A METHOD FOR PRODUCING OCTAHYDROFLUORENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-03-10 EP claimed
WO-1997041134-A1 A METHOD FOR PRODUCING OCTAHYDROFLUORENYL METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-11-06 WO claimed
US-5670680-A Method for producing octahydrofluorenyl metal complexes THE DOW CHEMICAL COMPANY (US) 1997-09-23 US claimed
CN-115197743-B Method for preparing high-energy-density aviation fuel by regulating and controlling composition of hydrogenation stereoisomerism product of polycyclic aromatic hydrocarbon 天津大学 2024-04-12 CN disclosed
CN-115197743-A Method for preparing high-energy-density aviation fuel by regulating composition of polycyclic aromatic hydrocarbon hydrogenation stereoisomeric product 天津大学 2022-10-18 CN disclosed
EP-3729442-A1 MOLECULE-BASED EQUATION ORIENTED REACTOR SIMULATION SYSTEM AND ITS MODEL REDUCTION Aspen Technology, Inc. (US) 2020-10-28 EP disclosed
US-10610500-B2 Chemosensory receptor ligand-based therapies ANJI PHARMA (US) LLC (US) 2020-04-07 US disclosed
US-20190228843-A1 Molecule-Based Equation Oriented Reactor Simulation System And Its Model Reduction JPMORGAN CHASE BANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-25 US disclosed
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2019-02-07 US disclosed
US-4347117-A Donor solvent coal liquefaction with bottoms recycle at elevated pressure EXXON RESEARCH & ENGINEERING CO. (US) 1982-08-31 US disclosed
US-4332666-A SOLVENT EXTRACTION EXXON RESEARCH & ENGINEERING CO. (US) 1982-06-01 US disclosed
EP-0051345-A2 Donor solvent coal liquefaction with bottoms recycle at elevated pressure EXXON RESEARCH AND ENGINEERING COMPANY (US) 1982-05-12 EP disclosed
US-4311578-A Liquefaction process wherein solvents derived from the material liquefied and containing increased concentrations of donor species are employed EXXON RESEARCH & ENGINEERING CO. (US) 1982-01-19 US disclosed
US-4081351-A LIQUEFACTION, DISTILLATION, CATALYTIC CRACKING MOBIL OIL CORPORATION (US) 1978-03-28 US disclosed
US-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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 (2 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-10610500-B2 Chemosensory receptor ligand-based therapies TAS1R2, TAS2R1, GPR119 HTR2A 624/4885HTR2C 656/4885HTR2B 767/4885
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 HTR2A 624/4885HTR2C 656/4885HTR2B 767/4885

“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.