SCHEMBL3376047

SCHEMBL3376047

[CH2]CN(CC)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 3/20 0.53
MAPK1 P28482 1/20 0.53
HRH3 Q9Y5N1 1/20 0.50
BCHE P06276 1/20 0.49
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAOB P27338 2/20 0.47

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
SCHEMBL22749514 0.90 KDM4E (0.50) CNR2KDM4ETSHRMAPK1HRH3
SCHEMBL8064154 0.86 HRH3 (0.60) CNR2KDM4ETSHRMAPK1HRH3
Ethylene SCHEMBL28212464 0.86 HRH3 (0.60) CNR2KDM4ETSHRMAPK1HRH3
SCHEMBL375111 0.86 KDM4E (0.68) CNR2KDM4ETSHRMAPK1HRH3
SCHEMBL479294 0.86 TSHR (0.50) CNR2KDM4ETSHRMAPK1SLC6A2
SCHEMBL81248 0.86 HRH3 (0.65) CNR2KDM4ETSHRMAPK1HRH3
SCHEMBL11501764 0.86 TSHR (0.50) CNR2KDM4ETSHRMAPK1SLC6A2
Fluoride SCHEMBL11307410 0.84 HRH3 (0.62) CNR2KDM4ETSHRMAPK1HRH3
Water SCHEMBL5507580 0.84 HRH3 (0.62) CNR2KDM4ETSHRMAPK1HRH3
Iodide SCHEMBL21693881 0.84 HRH3 (0.62) CNR2KDM4ETSHRMAPK1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1229057-B1 Organosol and liquid inks comprising the same SAMSUNG ELECTRONICS CO LTD (KR) 2007-05-23 EP claimed
WO-2013066469-A2 KINASE INHIBITORS CAPABLE OF INCREASING THE SENSITIVITY OF BACTERIAL PATHOGENS TO B-LACTAM ANTIBIOTICS SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2013-05-10 WO disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
WO-2005118584-A2 SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER AXYS PHARMACEUTICALS, INC. (US) 2005-12-15 WO disclosed
CN-1057674-C Growth promoting composition and production thereof KITASATO INST (JP) 2000-10-25 CN disclosed
US-5854407-A 15-hydroxy 6,9-hemiacetal erythromycin compounds TAKEDA CHEMICAL CORPORATION (JP) 1998-12-29 US disclosed
US-5724629-A Liquid developer monitoring device, liquid developer controlling system, and image forming apparatus using same MINOLTA CO., LTD. (JP) 1998-03-03 US disclosed
US-5689779-A Liquid developer and developing method and developing apparatus using same MINOLTA CO., LTD. (JP) 1997-11-18 US disclosed
EP-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-4760147-A Isopropyl 1,4-dihydro-2,6-dimethyl-4-(2,3-dichlorophenyl)-3-(1,3,4-oxadiazol-2 -yl)pyridine-5-carboxylate CASSELLA AKTIENGESELLSCHAFT (DE) 1988-07-26 US disclosed
CN-86106828-A DIGESTIVE TRACT CONTRACTILE MOTION STIMULANT 1987-04-08 CN disclosed
EP-0215355-A2 Erythromycin derivative and process for preparing the same KITASATO KENKYUSHO (JP) 1987-03-25 EP disclosed
EP-0213617-A2 Digestive tract contractile motion stimulant KITASATO KENKYUSHO (JP) 1987-03-11 EP disclosed
EP-0177122-A2 Acrylamide derivatives Nippon Paint Co., Ltd. (JP) 1986-04-09 EP disclosed
EP-0172509-A2 Process for the preparation of optically active, substituted 1,4-dihydropyridines and their use as medicaments CASSELLA Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4558058-A HYPOTENSIVE AGENTS CASSELLA AKTIENGESELLSCHAFT (DE) 1985-12-10 US disclosed
US-4495192-A HYPOTENSIVE AGENTS; VASODILATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-22 US disclosed
EP-0116708-A1 Substituted 1,4-dihydropyridines, method for their preparation and their use as pharmaceuticals CASSELLA Aktiengesellschaft (DE) 1984-08-29 EP disclosed
EP-0093945-A2 1,4-Dihydropyridine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-11-16 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-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI CNR2 2433/4885KDM4E 4172/4885TSHR 1622/4885

“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.