SCHEMBL104860

SCHEMBL104860

CC(C)Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C19 P33261 1/20 0.55
FDPS P14324 1/20 0.53
PTPRA P18433 1/20 0.53
PGR P06401 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HRH1 P35367 1/20 0.48
LMNA P02545 1/20 0.47
TAAR1 Q96RJ0 1/20 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
Hydrochloric Acid SCHEMBL28948556 0.98 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Ammonia Solution, Strong SCHEMBL5620498 0.98 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2352782 0.86 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27706031 0.86 ALDH1A1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cadaverine Tartrate SCHEMBL28543828 0.84 PTPRA (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Alanine SCHEMBL28876933 0.84 PTPRA (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25706780 0.84 ALDH1A1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24454696 0.83 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL678013 0.83 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12894962 0.83 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 1339 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025047524-A1 OFF-ODOR SUPPRESSING AGENT, FRAGRANCE COMPOSITION FOR SUPPRESSING OFF-ODOR, AND FOOD AND DRINK IN WHICH OFF-ODOR CONTAINED THEREIN IS MASKED 高砂香料工業株式会社 2025-03-06 WO claimed
EP-4205565-A1 TOBACCO FILLING MATERIAL AND TOBACCO PRODUCT Japan Tobacco Inc. (JP) 2023-07-05 EP claimed
WO-2022044587-A1 TOBACCO FILLING MATERIAL AND TOBACCO PRODUCT 日本たばこ産業株式会社 2022-03-03 WO claimed
CN-111227297-B Spice composition for blasting beads capable of highlighting baking aroma characteristics of cigarettes, blasting bead aroma base module, blasting beads and cigarettes 中国烟草总公司郑州烟草研究院 2021-11-26 CN claimed
EP-3809876-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2021-04-28 EP claimed
US-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound HENKEL AG & CO. KGAA (DE) 2021-02-16 US claimed
CN-111227297-A Spice composition for blasting beads capable of highlighting baking aroma characteristics of cigarettes, blasting bead aroma base module, blasting beads and cigarettes 中国烟草总公司郑州烟草研究院 2020-06-05 CN claimed
WO-2019243869-A1 PROTECTIVE AGENT FOR FOOD PRODUCTS AND THE LIKE AND FOR CURING AND/OR STORAGE ROOMS OF THE SAME PERPRIN S.R.L. (IT) 2019-12-26 WO claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
EP-3350296-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
WO-2017046054-A1 PERFUME COMPOSITION COMPRISING AN ODOR MODULATOR COMPOUND, AMINO ALCOHOL AND ODORIFEROUS ALDEHYDE AND/OR ODORIFEROUS KETONE FOR INCREASING AND PROLONGING ODOR INTENSITY HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046055-A1 PERFUME COMPOSITIONS COMPRISING MICROCAPSULES, FRAGRANCE MODULATOR COMPOUNDS AND FRAGRANCE RAW MATERIAL FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046282-A1 TRANSPARENT LIQUIDS, IN PARTICULAR FABRIC TREATMENT AGENTS, CONTAINING PERFUME AND MICROCAPSULES WITH AN ODOR MODULATOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046050-A1 LIQUID CLEANING AGENT HAVING OPTIMIZED SCENT HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
CN-105457680-A A Cu composite catalyst used for oxidative carbonylation to synthesize alkyl carbonates WUHAN INST TECHNOLOGY 2016-04-06 CN claimed
CN-102041172-A Essence ZHAOLEI ZHANG 2011-05-04 CN claimed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10920176-B2 Transparent liquids, in particular fabric treatment agents, comprising perfume and microcapsules with an odor modulator compound NEFM, TRPA1, ALOX5 GRIN2D 3679/4885GRIN3B 4433/4885GRIN1 4318/4885

“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.