SCHEMBL709454

SCHEMBL709454

CC1CCCC(NC(=O)c2ccc3c(c2)OCO3)C1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
KMT2A Q03164 4/20 0.62
HPGD P15428 2/20 0.61
TP53 P04637 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TAS1R3 Q7RTX0 4/20 0.57
TAS1R1 Q7RTX1 4/20 0.57
TAS1R2 Q8TE23 3/20 0.57
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
XBP1 P17861 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL12094221 0.90 NPC1 (0.81) NPC1RAB9AKMT2AHPGDTP53
SCHEMBL2601942 0.85 NPC1 (0.76) NPC1RAB9AKMT2AHPGDTP53
SCHEMBL108104 0.85 NPC1 (0.76) NPC1RAB9AKMT2AHPGDTP53
SCHEMBL1599461 0.85 NPC1 (0.76) NPC1RAB9AKMT2AHPGDTP53
SCHEMBL517182 0.82 NPC1 (0.68) NPC1RAB9AKMT2AHPGDTAS1R3
SCHEMBL518128 0.81 RAB9A (0.68) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL2915377 0.79 TAS1R3 (0.66) NPC1RAB9AKMT2ATAS1R3TAS1R1
SCHEMBL517271 0.78 NPC1 (0.64) NPC1RAB9AKMT2AHPGDTAS1R3
SCHEMBL20404239 0.78 NPC1 (0.73) NPC1RAB9AKMT2AHPGDTP53
SCHEMBL12858941 0.77 RAB9A (0.62) NPC1RAB9AKMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250143359-A1 COMPOUNDS THAT MODULATE GPR92 RECEPTOR ACTIVITY AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2025-05-08 US disclosed
EP-3229611-B1 COMPOUNDS THAT MODULATE FATTY ACID RECEPTOR ACTIVITY AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2025-03-26 EP disclosed
US-12207672-B2 Compounds that modulate GPR92 receptor activity and pet food products containing the same MARS, INCORPORATED (US) 2025-01-28 US disclosed
EP-3398452-B1 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS FIRMENICH INCORPORATED (US) 2024-10-02 EP disclosed
EP-4403042-A2 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2024-07-24 EP disclosed
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP 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
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
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
US-11185100-B2 Methods for modulating taste receptors MARS, INCORPORATED (US) 2021-11-30 US disclosed
US-7476399-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX INC. (US) 2009-01-13 US disclosed
EP-2010009-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM Senomyx, Inc. (US) 2009-01-07 EP disclosed
WO-2007124152-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. (US) 2007-11-01 WO disclosed
WO-2007124152-A2 COMESTIBLE COMPOSITIONS COMPRISING HIGH POTENCY SAVORY FLAVORANTS, AND PROCESSES FOR PRODUCING THEM SENOMYX, INC. (US) 2007-11-01 WO disclosed
EP-1848289-A2 AROMATIC AMIDES AND UREAS AND THEIR USES AS SWEET AND/OR UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS Senomyx, Inc. (US) 2007-10-31 EP 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
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP 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
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 WO 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

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-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 NPC1 4680/4885RAB9A 4173/4885KMT2A 1575/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 NPC1 4715/4885RAB9A 4185/4885KMT2A 1657/4885
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 NPC1 4590/4885RAB9A 4108/4885KMT2A 833/4885

“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.