SCHEMBL6846799

SCHEMBL6846799

NCCCOc1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 2/20 0.57
KCNH2 Q12809 1/20 0.57
WDR5 P61964 1/20 0.54
HRH3 Q9Y5N1 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAOB P27338 1/20 0.51
AOC3 Q16853 1/20 0.51
FFAR1 O14842 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL6846964 0.94 DRD2 (0.57) DRD2DRD4LMNAMAPK1HTT
SCHEMBL8035908 0.93 HRH3 (0.57) DRD2DRD4LMNAMAPK1HTT
SCHEMBL3167075 0.90 LMNA (0.59) DRD2DRD4LMNAMAPK1HTT
SCHEMBL9808215 0.86 LMNA (0.67) DRD2DRD4LMNAMAPK1HTT
SCHEMBL1685432 0.84 DRD2 (0.62) DRD2DRD4LMNAMAPK1HTT
SCHEMBL9774806 0.82 DRD2 (0.60) DRD2DRD4LMNAMAPK1HTT
SCHEMBL10458289 0.82 LMNA (0.59) DRD2DRD4LMNAMAPK1HTT
SCHEMBL21742155 0.82 WDR5 (0.59) DRD2DRD4LMNAMAPK1HTT
SCHEMBL6852942 0.81 DRD2 (0.58) DRD2DRD4LMNAMAPK1HTT
SCHEMBL5825855 0.81 KMT2A (0.60) DRD2DRD4LMNAMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015155306-A1 NEW TRPA1 ANTAGONISTS ALMIRALL, S.A. (ES) 2015-10-15 WO disclosed
EP-1444300-A1 METHOD FOR SOLIDIFICATION OF A LIQUID PAINT COMPONENT DSM IP Assets B.V. (NL) 2004-08-11 EP disclosed
US-6756384-B2 TREATMENT OF DISEASES AND DISORDERS RELATED TO THE HISTAMINE H3 RECEPTOR. NOVO NORDISK A/S (DK) 2004-06-29 US disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 US disclosed
US-20030135056-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2003-07-17 US disclosed
WO-2003025073-A1 METHOD FOR SOLIDIFICATION OF A LIQUID PAINT COMPONENT DSM IP ASSETS B.V. (NL) 2003-03-27 WO disclosed
EP-1295915-A1 Method for solidification of a liquid paint component DSM N.V. (NL) 2003-03-26 EP disclosed
EP-1268484-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
EP-0183147-A2 Beta-substituted aminophenethylazol derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-06-04 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 (4 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E DRD2 163/4885DRD4 494/4885LMNA 2397/4885
US-20030135056-A1 Imidazole compounds HRH3, HRH4, HRH2 DRD2 668/4885DRD4 1390/4885LMNA 4098/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 DRD2 668/4885DRD4 1390/4885LMNA 4098/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C DRD2 85/4885DRD4 157/4885LMNA 921/4885

“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.