SCHEMBL7654677

SCHEMBL7654677

[CH2]/C=C/CCCc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
MTNR1A P48039 2/20 0.42
SIGMAR1 Q99720 2/20 0.41
CYP2D6 P10635 1/20 0.41
NQO2 P16083 1/20 0.41
MCL1 Q07820 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACP3 P15309 1/20 0.39

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
SCHEMBL7654681 1.00 GPR84 (0.43) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL9819905 0.89 CYP1A2 (0.46) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL6001657 0.89 CYP1A2 (0.46) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL30424192 0.83 SIGMAR1 (0.48) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL6028071 0.82 TLR8 (0.50) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL9216856 0.82 CYP1A2 (0.48) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL5830948 0.79 GPR84 (0.59) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL9800436 0.79 CYP1A2 (0.58) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL2106557 0.79 MTNR1A (0.42) GPR84CYP1A2CYP2C19CYP2C9MTNR1A
SCHEMBL5609954 0.79 SIGMAR1 (0.50) GPR84CYP1A2CYP2C19CYP2C9MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118234717-A Bicyclic heteroaromatic compounds and their use as pest control agents PI工业有限公司 2024-06-21 CN disclosed
EP-3625215-B1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD (IN) 2023-09-13 EP disclosed
WO-2023144711-A1 1,2,3-TRIAZOLE CARBONYL SULFONYLAMIDE COMPOUNDS AND USE THEREOF PI INDUSTRIES LTD. (IN) 2023-08-03 WO disclosed
WO-2023084473-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI INDUSTRIES LTD. (IN) 2023-05-19 WO disclosed
CN-115427411-A 5- (3- (ethylsulfonyl) pyridin-2-yl) -pyrazolo [1,5-a ] pyrimidine derivatives and related compounds as pesticides for crop protection PI工业有限公司 2022-12-02 CN disclosed
CN-113454063-A 3-substituted phenylamidine compounds, preparation method and application thereof PI工业有限公司 2021-09-28 CN disclosed
CN-113061089-A Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-07-02 CN disclosed
CN-108283000-B Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-04-13 CN disclosed
CN-111670180-A Fluoroalkenyl compounds, process for their preparation and their use PI工业有限公司 2020-09-15 CN disclosed
US-20200148635-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD. (IN) 2020-05-14 US disclosed
CN-110770210-A Novel amidine compounds PI工业有限公司 2020-02-07 CN disclosed
WO-2018211442-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD. (IN) 2018-11-22 WO disclosed
US-6376510-B1 ADMINISTERING A ALKOXY- AND ACYLOXY-SUBSTITUTED ARALKYL AND ARALKENYL BIS QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS TO A HUMAN AS MUSCLE RELAXANTS NEWLAXANT LLC 2002-04-23 US disclosed
US-6274623-B1 DI- OR POLY-ALKOXY-OR ACYLOXY-SUBSTITUTED ARALKYL AND ARAKENYL QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC AMINOALKANOL DIESTERS SUCH AS BIS(N-(3,4-DIPROPIONYLOXY-BENZYL)GRANATANINIUM-3-ALPHA-YL)ADIPATE DIBROMIDE NEWLAXANT LLC 2001-08-14 US disclosed
US-6274757-B1 REACTING AN HYDROXY AMINE CORRESPONDING COMPOUND WITH DICHLORO COMPOUND NEWLAXANT LLC 2001-08-14 US disclosed
CN-1280578-A Bis-quaternary ammonium derivatives as neuromuscular relaxants NEWLAKSONT CO LTD (US) 2001-01-17 CN disclosed
EP-1025099-A1 BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS Gyermek, Laszlo (US) 2000-08-09 EP disclosed
US-5990124-A ALKOXY AND/OR ACYLOXY DI- AND POLY-SUBSTITUTED ARALKYL AND ARALKENYL BIS-QUATERNARY AMMONIUM DERIVATIVES OF CYCLIC ALKANOL DIESTERS; SUCH AS BIS(N-(4-ACETOXY-3-METHOXYBENZYL) TROPANIUM-3-YL)-3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALATE GYERMEK LASZLO (US) 1999-11-23 US disclosed
WO-1999021854-A1 BIS-QUATERNARY AMMONIUM DERIVATIVES AS NEUROMUSCULAR RELAXANTS NEWLAXANT LLC (US) 1999-05-06 WO disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP 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 (1 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-20200148635-A1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PADI4, PADI1, PADI2 GPR84 2097/4885CYP1A2 2031/4885CYP2C19 2648/4885

“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.