SCHEMBL299637

SCHEMBL299637

CCCc1cnc(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
CYP2D6 P10635 4/20 0.35
HRH1 P35367 1/20 0.35
CYP3A4 P08684 11/20 0.33
CYP1A2 P05177 10/20 0.33
CLK4 Q9HAZ1 6/20 0.33
HSD17B10 Q99714 4/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 4/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL9797818 0.87 NOS2 (0.38) NOS2NOS3NOS1CYP3A4CYP1A2
SCHEMBL293171 0.86 NOS2 (0.40) NOS2CYP2D6HRH1CYP3A4CYP1A2
SCHEMBL12301340 0.85 KCNH2 (0.44) NOS2CYP2D6HRH1HSD17B10KDM4E
SCHEMBL22341560 0.83 KCNH2 (0.47) CYP3A4HSD17B10LMNAKDM4EMEN1
SCHEMBL19309229 0.83 KCNH2 (0.47) CYP3A4HSD17B10LMNAKDM4EMEN1
SCHEMBL294175 0.81 KDM4E (0.32) NOS2NOS3NOS1CYP3A4TSHR
SCHEMBL97386 0.81 CYP2D6 (0.35) CYP2D6HRH1CYP3A4CYP1A2CLK4
SCHEMBL110053 0.80
SCHEMBL2339199 0.79 HRH1 (0.42) CYP2D6HRH1CYP3A4CYP1A2CLK4
SCHEMBL22877018 0.79 CYP2D6 (0.34) CYP2D6HRH1CYP3A4CYP1A2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490938-A Bacillus bailii BL-LM and application thereof in preparation of special-flavor white spirit Daqu 江西农业大学 2025-02-21 CN claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
US-20250214975-A1 PEPTIDYL FLAVOR MODIFIERS OHIO STATE INNOVATION FOUNDATION 2025-07-03 US disclosed
CN-119490938-A Bacillus bailii BL-LM and application thereof in preparation of special-flavor white spirit Daqu 江西农业大学 2025-02-21 CN disclosed
US-12213502-B2 Method of enhancing flavor qualities of coffee using novel small molecules OHIO STATE INNOVATION FOUNDATION (US) 2025-02-04 US disclosed
US-20240090549-A1 NOVEL SMALL MOLECULES THAT ENHANCE FLAVOR QUALITIES OF COFFEE AND RELATED BEVERAGES OHIO STATE INNOVATION FOUNDATION 2024-03-21 US disclosed
US-11891364-B2 Methods of selectively forming substituted pyrazines R.J. REYNOLDS TOBACCO COMPANY (US) 2024-02-06 US disclosed
CN-117486811-A Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2024-02-02 CN disclosed
US-11856975-B2 Method of enhancing flavor qualities of coffee OHIO STATE INNOVATION FOUNDATION (US) 2024-01-02 US disclosed
CN-110637012-B Method for selectively forming substituted pyrazines R.J.雷诺兹烟草公司 2023-11-24 CN disclosed
WO-2023225277-A1 PEPTIDYL FLAVOR MODIFIERS OHIO STATE INNOVATION FOUNDATION (US) 2023-11-23 WO disclosed
US-4847355-A Thermosettable prepolymer prepared from heterocyclic material having alkyl substituents, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate of bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-07-11 US disclosed
US-4812531-A Thermosettable polymers or prepolymers prepared from heterocyclic materials having alkyl substituents, mono- or dianhydrides, ethylenically unsaturated materials and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1989-03-14 US disclosed
US-4752636-A Thermosettable polymer or prepolymer prepared from heterocyclic materials containing nitrogen atoms, carboxylic acid mono- or dianhydrides and a polymerizable material with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1988-06-21 US disclosed
US-4668766-A Preparation of thermosettable polymer or prepolymer from heterocyclic material containing nitrogen atoms, carboxylic acid mono- or dianhydride and a polymerizable material with ethylenically unsaturated group THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
US-4654414-A Thermosettable polymer or prepolymer prepared from heterocyclic material having alkyl substituent, mono- or dianhydride, ethylenically unsaturated material and a hydroxide, carbonate or bicarbonate of a metal of groups I-A or II-A THE DOW CHEMICAL COMPANY (US) 1987-03-31 US disclosed
US-4613663-A Thermoplastic and thermosettable products prepared by reacting nitrogen-containing heterocyclic compounds with aromatic aldehydes THE DOW CHEMICAL COMPANY (US) 1986-09-23 US disclosed
EP-0002938-B1 NOVEL HETEROCYCLIC CARBOTHIOAMIDES, COMPOSITIONS CONTAINING THEM, THEIR PREPARATION AND USE ELI LILLY AND COMPANY (US) 1982-05-12 EP disclosed
US-4289766-A Heterocyclic carbothioamides ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0002938-A2 Novel heterocyclic carbothioamides, compositions containing them, their preparation and use ELI LILLY AND COMPANY (US) 1979-07-11 EP 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-20250214975-A1 PEPTIDYL FLAVOR MODIFIERS TAS2R30, TAS2R40, TAS2R50 NOS2 2485/4885NOS3 1406/4885NOS1 1967/4885
US-11891364-B2 Methods of selectively forming substituted pyrazines KHK, HK2, HK1 NOS2 1932/4885NOS3 2076/4885NOS1 2168/4885

“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.