SCHEMBL949577

SCHEMBL949577

NC(Cc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.62
TACR1 P25103 3/20 0.54
IDO1 P14902 3/20 0.51
TDO2 P48775 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
CYP3A4 P08684 2/20 0.46
AGXT P21549 2/20 0.46
GRIN2B Q13224 1/20 0.45
SCN4A P35499 3/20 0.44

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
SCHEMBL3282596 0.89 PNMT (0.53) PNMTTACR1IDO1TDO2SLC6A2
SCHEMBL272604 0.80 EPHX1 (0.61) SLC6A2SLC6A4SIGMAR1TAAR1GRIN2B
SCHEMBL3451169 0.80 EPHX1 (0.61) SLC6A2SLC6A4SIGMAR1TAAR1GRIN2B
SCHEMBL468022 0.80 EPHX1 (0.61) SLC6A2SLC6A4SIGMAR1TAAR1GRIN2B
SCHEMBL4986022 0.80 TACR1 (0.77) TACR1IDO1TDO2CYP3A4AGXT
SCHEMBL3282306 0.80 PNMT (0.56) PNMTTACR1IDO1SLC6A2SLC6A4
SCHEMBL23655308 0.80 AGXT (0.50) SLC6A2SLC6A4SIGMAR1TAAR1AGXT
SCHEMBL17196630 0.80 MAOA (0.55) TACR1SLC6A2SLC6A4SIGMAR1TAAR1
SCHEMBL25517567 0.80 LMNA (0.65) PNMTTACR1IDO1TDO2SLC6A2
SCHEMBL1570196 0.79 PNMT (0.69) PNMTTACR1IDO1TAAR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713786-B1 1-(AZOLIN-2-YL) AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATTING INSECTS, ARACHNIDS AND NEMATODES BASF SE (DE) 2012-08-08 EP disclosed
US-7871960-B2 1-(Imidazolin-2-yl)amino-1,2-diphenylethane compounds for combating animal pests BASF SE (DE) 2011-01-18 US disclosed
EP-1888533-B1 1-(IMIDAZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2010-12-15 EP disclosed
US-7655600-B2 4,5-Dihydro-4-methyloxazol-2-yl)-[2-(3-chloro-phenyl)-1-phenyl-ethyl]-amine; 1-[1-(4-Chlorophenyl)-2-phenyl-ethyl]-(4,5-dihydrothiazol-2-yl)-amine; animal pests; agriculture; broad activity spectrum against difficult to control insects etc. BASF AKTIENGESELLSCHAFT (DE) 2010-02-02 US disclosed
CN-100572367-C 1- (azolin-2-yl) amino-1, 2-diphenylethane compounds for controlling insects, arachnids and nematodes BASF AG (DE) 2009-12-23 CN disclosed
CN-100566712-C Polyamine compounds for the treatment of chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY CO LTD (CN) 2009-12-09 CN disclosed
US-20080200335-A1 1-(Imidazolin-2-Yl)Amino-1,2-Diphenylethane Compounds For Combating Animal Pests BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
EP-1888533-A1 1-(IMIDAZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
US-20070149582-A1 1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating insects, arachnids and nematodes BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 US disclosed
CN-1898218-A 1-(azolin-2-yl)amino-1,2-diphenylethane compounds for combatting insects, arachnids and nematodes BASF AG (DE) 2007-01-17 CN disclosed
WO-2006125748-A1 1-(IMIDAZOLIN-2-YL)AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
EP-1713786-A1 1-(AZOLIN-2-YL) AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATTING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 2006-10-25 EP disclosed
CN-1798551-A Polyamine compounds for the treatment of chemokine receptor mediated diseases TAIGEN BIOTECHNOLOGY CO LTD (CN) 2006-07-05 CN disclosed
WO-2005063724-A1 1-(AZOLIN-2-YL) AMINO-1,2-DIPHENYLETHANE COMPOUNDS FOR COMBATTING INSECTS, ARACHNIDS AND NEMATODES BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO 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 (2 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-20070149582-A1 1-(Azolin-2-yl)amino-1,2-diphenylethane compounds for combating insects, arachnids and nematodes ANXA1, ANTXR2, ANXA2 PNMT 784/4885TACR1 503/4885IDO1 9/4885
US-20080200335-A1 1-(Imidazolin-2-Yl)Amino-1,2-Diphenylethane Compounds For Combating Animal Pests ANXA1, ANXA11, AGO2 PNMT 601/4885TACR1 4731/4885IDO1 4/4885

“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.