SCHEMBL436854

SCHEMBL436854

CC(C)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
MAPK1 P28482 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ACHE P22303 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
EPHX1 P07099 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL10587522 0.85 TYR (0.51) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL13995332 0.83 MEN1 (0.53) IDO1MAPK1MEN1KMT2APOLB
SCHEMBL23718372 0.82 TSHR (0.37) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL19254203 0.82 SLC6A2 (0.42) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL435685 0.81 SLC6A4 (0.37) MEN1KMT2APOLBSLC6A2SLC6A4
SCHEMBL14131063 0.81 TYR (0.51) IDO1MAPK1CYP3A4CYP2C9CYP2C19
SCHEMBL17834116 0.81 SLC6A2 (0.41) CYP1A2CYP2C19MEN1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL5721208 0.80 IDO1 (0.43) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL11621292 0.80 IDO1 (0.65) IDO1MAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2659771 0.79 IDO1 (0.54) IDO1MAPK1CYP1A2CYP3A4CYP2C9

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds AFASCI, INC. (US) 2023-09-05 US disclosed
EP-2968211-B1 PHENYL ALKYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY OR EPILEPSY-RELATED SYNDROME BIO PHARM SOLUTIONS CO LTD (KR) 2021-05-12 EP disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 US disclosed
US-10525030-B2 Phenyl carbamate compound and a composition for neuroprotection comprising the same BIO-PHARM SOLUTIONS CO., LTD. (KR) 2020-01-07 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 US disclosed
EP-2527314-B1 Process for preparation of phenyl carbamate derivatives BIO-PHARM SOLUTIONS CO LTD (KR) 2017-10-04 EP disclosed
EP-2797878-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING STROKE BIO-PHARM SOLUTIONS CO LTD (KR) 2017-08-16 EP disclosed
WO-2017083867-A1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI, INC. (US) 2017-05-18 WO disclosed
EP-2797880-B1 PHENYL CARBAMATE COMPOUNDS FOR USE IN PREVENTING OR TREATING EPILEPSY BIO-PHARM SOLUTIONS CO LTD (KR) 2017-03-01 EP disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
US-20080161288-A1 COMPOUNDS PFIZER INC. 2008-07-03 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 US disclosed
US-7378413-B2 2-amino-3-(alkyl)-pyrimidone derivatives SANOFI AVENTIS (FR) 2008-05-27 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 (7 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 IDO1 28/4885MAPK1 2118/4885CYP1A2 1617/4885
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H IDO1 2136/4885MAPK1 2194/4885CYP1A2 2708/4885
US-11744825-B2 Methods of treating hypersensitive cough or itching using ion channel inhibitory compounds TRPV1, TRPA1, TRPV2 IDO1 920/4885MAPK1 1943/4885CYP1A2 4283/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 IDO1 19/4885MAPK1 1995/4885CYP1A2 1409/4885
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS DHPS, FDPS, IMPDH1 IDO1 791/4885MAPK1 448/4885CYP1A2 90/4885
US-20080161288-A1 COMPOUNDS ADRB2, ADRB1, ADRA2C IDO1 1788/4885MAPK1 2370/4885CYP1A2 74/4885
US-10525030-B2 Phenyl carbamate compound and a composition for neuroprotection comprising the same CHAT, BAX, CASP3 IDO1 2494/4885MAPK1 2514/4885CYP1A2 3752/4885

“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.