SCHEMBL5335913

SCHEMBL5335913

Cc1ccc(C(C)C)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.56
LMNA P02545 1/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56
HTR2B P41595 1/20 0.56
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29390294 1.00 TRPA1 (0.56) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL21289450 0.83 HTR2B (0.41) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL2474757 0.82 LMNA (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL28493300 0.82 LMNA (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL3374798 0.81 HTR2B (0.40) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL5525837 0.81 LMNA (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL30228731 0.79 HTR2B (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL20455655 0.79 HTR2B (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL31383781 0.79 LMNA (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL31383794 0.79 LMNA (0.44) TRPA1LMNACHRM1SLC6A2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 US disclosed
US-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-18 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF OXFORD FINANCE LLC 2023-05-04 US disclosed
EP-4130267-A1 NEW METHOD FOR DETECTING AND QUANTIFYING RNA East China University of Science and Technology (CN) 2023-02-08 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
WO-2017132173-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
EP-2841413-B1 PROCESS FOR PREPARING N-(5-CHLORO-2-ISOPROPYLBENZYL)CYCLOPROPANAMINE BAYER CROPSCIENCE AG (DE) 2017-07-26 EP disclosed
WO-2013122897-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-08-22 WO disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
EP-0211083-A1 PROCESS FOR FORMING THIN METAL SULFIDE FILM MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1987-02-25 EP disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (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-20230150946-A1 HETEROCYCLE CONTAINING STAT INHIBITORS AND COMPOSITIONS STAT5A, STAT5B, STAT3 TRPA1 4476/4885LMNA 4786/4885CHRM1 4847/4885
US-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R TRPA1 1198/4885LMNA 4634/4885CHRM1 251/4885
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS STAT5A, STAT5B, STAT3 TRPA1 4562/4885LMNA 4768/4885CHRM1 4829/4885
US-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TRPA1 4671/4885LMNA 1968/4885CHRM1 2462/4885
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF STAT5A, STAT5B, STAT3 TRPA1 4745/4885LMNA 4588/4885CHRM1 4826/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE TRPA1 4848/4885LMNA 2333/4885CHRM1 3729/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 TRPA1 4527/4885LMNA 3703/4885CHRM1 4829/4885
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS NAAA, CNR2, AADAC TRPA1 293/4885LMNA 3368/4885CHRM1 3224/4885

“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.