SCHEMBL295055

SCHEMBL295055

CCCc1cncc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
CYP2D6 P10635 1/20 0.35
HRH1 P35367 1/20 0.35
PDE10A Q9Y233 2/20 0.33
CTSK P43235 6/20 0.33
BACE1 P56817 1/20 0.32
CTSS P25774 3/20 0.32
KDM5B Q9UGL1 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL30480965 1.00 NOS1 (0.39) NOS1NOS2NOS3CYP2D6HRH1
SCHEMBL10834770 0.88 CYP2D6 (0.38) NOS1NOS2NOS3CYP2D6HRH1
SCHEMBL511339 0.87 NOS2 (0.43) NOS2CYP2D6HRH1PDE10A
SCHEMBL9797653 0.85 NOS3 (0.40) NOS1NOS2NOS3CTSKBACE1
SCHEMBL25818388 0.85 KCNH2 (0.47) NOS2CYP2D6HRH1
SCHEMBL105987 0.81
SCHEMBL24618582 0.80 HRH4 (0.36) NOS1NOS2CYP2D6HRH1CYP11B1
SCHEMBL5302424 0.80 CYP2D6 (0.35) NOS1NOS2CYP2D6HRH1PDE10A
SCHEMBL29792040 0.80 HRH4 (0.36) NOS1NOS2CYP2D6HRH1CYP11B1
SCHEMBL4687448 0.79 NOS3 (0.36) NOS1NOS2NOS3CTSKBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119866889-A Method for producing fragrant style tobacco leaves 福建中烟工业有限责任公司 2025-04-25 CN disclosed
WO-2025047604-A1 ANIMAL OIL/FAT FLAVOR-IMPARTING AGENT 味の素株式会社 2025-03-06 WO disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-4205565-A1 TOBACCO FILLING MATERIAL AND TOBACCO PRODUCT Japan Tobacco Inc. (JP) 2023-07-05 EP disclosed
EP-3728223-B1 CYCLOHEXYL ACID TRIAZOLE AZINES AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-12-28 EP disclosed
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-30 US disclosed
EP-3273793-B1 AMINO ACID ANIMAL FEED COMPOSITION BENEMILK OY (FI) 2020-08-19 EP disclosed
US-10610500-B2 Chemosensory receptor ligand-based therapies ANJI PHARMA (US) LLC (US) 2020-04-07 US disclosed
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies ANJI PHARMACEUTICALS INC. 2019-02-07 US disclosed
WO-2018128720-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-07-12 WO disclosed
EP-0021663-A1 A polyheterocyclic compound, its preparation and a smoking composition in which it is used PHILIP MORRIS INCORPORATED (US) 1981-01-07 EP disclosed
US-4154831-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 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 (3 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 NOS1 2459/4885NOS2 2835/4885NOS3 2505/4885
US-20190038576-A1 Chemosensory Receptor Ligand-Based Therapies TAS1R2, TAS2R1, GPR119 NOS1 2459/4885NOS2 2835/4885NOS3 2505/4885
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same ABCB7, FECH, CYC1 NOS1 243/4885NOS2 164/4885NOS3 221/4885

“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.