SCHEMBL664694

SCHEMBL664694

CN(C)C(=Nc1ccccc1)N(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.52
NOS3 P29474 4/20 0.52
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
SLC22A3 O75751 1/20 0.48
PLAU P00749 1/20 0.48
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Guanidine SCHEMBL2229425 0.89 NOS1 (0.54) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL5935352 0.87 ADRA2A (0.44) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL10072502 0.87 NOS1 (0.45) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL13381445 0.87 NOS1 (0.50) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL5746645 0.83 NOS1 (0.54) NOS1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7260909 0.78 NOS1 (0.56) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL7260907 0.78 NOS1 (0.56) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL10533424 0.78 HTR3E (0.54) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL5745399 0.77 SIGMAR1 (0.37) NOS1NOS3HTR3EHTR3BHTR3A
SCHEMBL3066162 0.76 HTR3E (0.56) NOS1NOS3HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104177362-B A kind of adjustable ionic liquid of polarity and the preparation method and application thereof 中国石油大学(北京) 2019-03-08 CN claimed
CN-104177362-A Polarity-adjustable ionic liquid, and preparation method and application thereof UNIV CHINA PETROLEUM 2014-12-03 CN claimed
US-8846851-B2 Methods of ring opening polymerization and catalysts therefor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-30 US claimed
US-8491790-B2 Method for the direct elution of reactive 18F fluoride from an anion exchange resin in an organic medium suitable for radiolabelling without any evaporation step by the use of strong organic bases TRASIS S.A. (BE) 2013-07-23 US claimed
US-20130158226-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-20 US claimed
EP-2164590-B1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES TRASIS S A (BE) 2013-03-06 EP claimed
US-20120046437-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-23 US claimed
US-20100196254-A1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES TRASIS S.A. (BE) 2010-08-05 US claimed
EP-4225822-B1 METHOD FOR PRODUCING POLYURETHANE FOAMS OR HYDROGELS BY EMPLOYING DIOL CONTAINING FORMULATIONS COVESTRO DEUTSCHLAND AG (DE) 2026-05-13 EP disclosed
EP-4569023-A1 COMBINATION OF CATALYTIC COMPONENTS PolyU GmbH (DE) 2025-06-18 EP disclosed
US-20240368443-A1 METHOD FOR PREPARING A POLYURETHANE POLYMER BOSTIK SA (FR) 2024-11-07 US disclosed
EP-3582816-B1 METHOD FOR PRODUCING AN ADHESIVE-FREE WOUND CONTACT MATERIAL COVESTRO DEUTSCHLAND AG (DE) 2024-10-30 EP disclosed
EP-3737429-B1 METHOD FOR THE MANUFACTURE OF ELASTIC AND TEAR-RESISTANT POLYURETHANE FOAMS AND THEIR APPLICATIONS COVESTRO DEUTSCHLAND AG (DE) 2024-03-20 EP disclosed
WO-2024033348-A1 COMBINATION OF CATALYTIC COMPONENTS POLYU GMBH (DE) 2024-02-15 WO disclosed
EP-0600546-A1 Binder composition for powder paints DSM N.V. (NL) 1994-06-08 EP disclosed
US-5082968-A Alkylation, salt formation GENERAL ELECTRIC COMPANY (US) 1992-01-21 US disclosed
US-4358613-A Process for the preparation of substituted guanidines GENERAL ELECTRIC COMPANY (US) 1982-11-09 US disclosed
US-4191815-A DIAZABICYCLOALKENE, GUANIDINE, AND BIGUANIDINE CATALYSTS S.A. PRB (BE) 1980-03-04 US disclosed
US-4073636-A Azolylamidine compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1978-02-14 US disclosed
US-3993469-A Azolylamidine compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 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 (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-20120046437-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR OGFOD1, PCNA, ODC1 NOS1 62/4885NOS3 182/4885HTR3E 4740/4885

“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.