SCHEMBL5771889

SCHEMBL5771889

Cc1cc(C)c2[nH]ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.38
PTK2 Q05397 1/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
NOS1 P29475 2/20 0.35
FGFR1 P11362 1/20 0.35
ACACB O00763 6/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL27229480 0.81 TRPA1 (0.49) TRPA1MAPTHTTPTK2ALDH1A1
SCHEMBL21937314 0.79 TRPA1 (0.44) TRPA1MAPTHTTPTK2ALDH1A1
SCHEMBL202508 0.79 NOS1 (0.46) TRPA1MAPTHTTPTK2KMT2A
SCHEMBL1286200 0.79 MAPT (0.52) TRPA1MAPTHTTPTK2KMT2A
SCHEMBL15759797 0.79 NOS1 (0.46) TRPA1MAPTHTTPTK2ALDH1A1
SCHEMBL1145088 0.79 NOS1 (0.46) TRPA1MAPTHTTPTK2ALDH1A1
SCHEMBL5409329 0.79 TRPA1 (0.44) TRPA1MAPTHTTPTK2ALDH1A1
SCHEMBL14500106 0.79 NOS1 (0.50) TRPA1MAPTHTTPTK2ALDH1A1
SCHEMBL19204828 0.79 LRRK2 (0.40) TRPA1MAPTHTTPTK2ALDH1A1
SCHEMBL7572921 0.79 MAPT (0.47) TRPA1MAPTHTTPTK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017160361-A1 POLYISOCYANURATE CATALYSTS FOR METAL PANELS AND SPRAY FOAMS HUNTSMAN PETROCHEMICAL LLC (US) 2017-09-21 WO claimed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230139731-A1 PROCESS FOR PREPARING MANNOSE DERIVATIVES ENTEROME (FR) 2023-05-04 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed
US-20210213011-A1 CGRP RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2021-07-15 US disclosed
WO-2021127070-A1 INTRANASAL PHARMACEUTICAL COMPOSITIONS OF CGRP INHIBITORS BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2021-06-24 WO disclosed
US-10888561-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-01-12 US disclosed
WO-2020249969-A1 CGRP ANTAGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2020-12-17 WO disclosed
CN-111747981-A Transition metal compound and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN disclosed
US-5376152-A Heterocyclic nitrogen compound mannich base derivatives of polyolefin-substituted amines for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1994-12-27 US disclosed
EP-0518949-B1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC (US) 1994-06-22 EP disclosed
US-5273671-A Reaction product of ethylene/alpha-olefin copolymer, polyamine, aldehyde and a benzotriazole or benzimidazole EXXON CHEMICAL PATENTS INC. (US) 1993-12-28 US disclosed
US-5271856-A Heterocyclic nitrogen compound Mannich base derivatives of amino-substituted polymers for oleaginous compositions EXXON CHEMICAL PATENTS INC. (US) 1993-12-21 US disclosed
US-5232615-A Reacting an amine with halogenated polyolefin to form adduct and contacting adduct with an aldehyde and a heterocyclic reactant to form an oil soluble, oxidation resistance dispersant for fuels EXXON CHEMICAL PATENTS INC. (US) 1993-08-03 US disclosed
US-5211865-A Oil soluble ethylene copolymer with alpha-olefin and grafted carboxylic acid and anhydride with polyamine, an anhydride and heterocycle EXXON CHEMICAL PATENTS INC. (US) 1993-05-18 US disclosed
EP-0520012-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789). EXXON CHEMICAL PATENTS INC (US) 1992-12-30 EP disclosed
EP-0518949-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS. EXXON CHEMICAL PATENTS INC (US) 1992-12-23 EP disclosed
WO-1991013954-A1 NOVEL HETEROCYCLIC NITROGEN COMPOUND MANNICH BASE DERIVATIVES OF AMINO-SUBSTITUTED POLYMERS FOR OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 WO disclosed
WO-1991013952-A1 IMPROVED MULTIFUNCTIONAL VISCOSITY INDEX IMPROVER-DISPERSANT ANTIOXIDANT (PT-789) EXXON CHEMICAL PATENTS INC. (US) 1991-09-19 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 (5 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP TRPA1 1604/4885MAPT 2516/4885HTT 3293/4885
US-20230139731-A1 PROCESS FOR PREPARING MANNOSE DERIVATIVES C1R, CBR1, FUT8 TRPA1 3991/4885MAPT 4840/4885HTT 3977/4885
US-10888561-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 TRPA1 157/4885MAPT 2373/4885HTT 3108/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 TRPA1 4575/4885MAPT 484/4885HTT 447/4885
US-20210213011-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, VIPR1 TRPA1 157/4885MAPT 2373/4885HTT 3108/4885

“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.