SCHEMBL607968

SCHEMBL607968

COc1ccc(CN)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.50
TAAR1 Q96RJ0 2/20 0.47
ADRA1A P35348 2/20 0.47
APLNR P35414 1/20 0.44
MAOB P27338 3/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
ADRA2A P08913 1/20 0.41

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
SCHEMBL12340483 0.84 TAAR1 (0.62) TAAR1ADRA1AMAOBALDH1A1KMT2A
SCHEMBL8295456 0.83 TAAR1 (0.52) HTR2BTAAR1ADRA1AMAOBLOXL2
SCHEMBL11295684 0.83 GPR84 (0.47) APLNRMAOBKDM1AMAOAALDH1A1
Hydrochloric Acid SCHEMBL1437235 0.82 TAAR1 (0.61) TAAR1ADRA1AMAOBALDH1A1KMT2A
SCHEMBL1690285 0.81 HTT (0.46) APLNRMAOBKDM1AMAOAALDH1A1
SCHEMBL31019671 0.80 IDO1 (0.62) TAAR1ADRA1AAPLNRMAOBKDM1A
SCHEMBL24411006 0.79 CA12 (0.45) TAAR1ADRA1AAPLNRMAOBKDM1A
SCHEMBL7704446 0.79 KMT2A (0.46) APLNRMAOBKDM1AMAOAIDO1
SCHEMBL7826059 0.79 CA12 (0.46) TAAR1ADRA1AAPLNRMAOBKDM1A
SCHEMBL14642017 0.79 APLNR (0.44) TAAR1ADRA1AAPLNRMAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20240025901-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND FUJIFILM CORPORATION (JP) 2024-01-25 US disclosed
US-20230242533-A9 SUBSTITUTED FUSED HETEROAROMATIC BICYCLIC COMPOUNDS AS KINASE INHIBITORS AND THE USE THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2023-08-03 US disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 US disclosed
CN-109678815-B N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof 中国药科大学 2022-11-29 CN disclosed
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
CN-114605764-A Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet 积水化学工业株式会社 2022-06-10 CN disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
WO-2006084246-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS SENOMYX, INC. (US) 2006-08-10 WO disclosed
US-20060045953-A1 Aromatic amides and ureas and their uses as sweet and/or umami flavor modifiers, tastants and taste enhancers SENOMYX, INC. 2006-03-02 US disclosed
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products FIRMENICH INCORPORATED 2005-04-21 US disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
WO-2003047520-A2 SUBSTITUTED AMINO METHYL FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
EP-1017672-A1 NEW NPY ANTAGONISTS AstraZeneca AB (SE) 2000-07-12 EP disclosed
WO-1999015498-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 1999-04-01 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 (8 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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTR2B 3563/4885TAAR1 2050/4885ADRA1A 4409/4885
US-20240025901-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND INF2, NISCH, ITPA HTR2B 3021/4885TAAR1 596/4885ADRA1A 3053/4885
US-20230242533-A9 SUBSTITUTED FUSED HETEROAROMATIC BICYCLIC COMPOUNDS AS KINASE INHIBITORS AND THE USE THEREOF ATR, CHEK1, CHEK2 HTR2B 4235/4885TAAR1 1745/4885ADRA1A 1914/4885
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 HTR2B 1932/4885TAAR1 2357/4885ADRA1A 932/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 HTR2B 2090/4885TAAR1 149/4885ADRA1A 4434/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 HTR2B 2396/4885TAAR1 145/4885ADRA1A 4475/4885
US-20050084506-A1 Amide compounds such as (R)-methyl 2-(3-chloro-4-methoxybenzamido)-4-methylpentanoate and urea compounds such as 1-(2-chlorophenyl)-3-(heptan-4-yl)urea for modulating taste of food or drug products TAS2R40, TAS2R4, TAS2R30 HTR2B 424/4885TAAR1 480/4885ADRA1A 4549/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTR2B 3563/4885TAAR1 2050/4885ADRA1A 4409/4885

“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.