SCHEMBL4006982

SCHEMBL4006982

CC1N=C(c2ccccc2)C(C)N=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CHRM1 P11229 1/20 0.39
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
NOTUM Q6P988 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL10945637 0.67 KMT2A (0.42) ALDH1A1KMT2AGAAMAPTHPGD
Biphenyl SCHEMBL28376025 0.65 ALDH1A1 (0.60) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL21191540 0.64 NISCH (0.35) ALDH1A1KMT2AGAAMAPTHPGD
Biphenyl SCHEMBL27765460 0.64 ALDH1A1 (0.69) ALDH1A1MAPTRAB9ANPC1MAPK1
SCHEMBL24365675 0.63 NISCH (0.42) ALDH1A1KMT2AGAAMAPTHPGD
Biphenyl SCHEMBL653702 0.62 ALDH1A1 (0.82) ALDH1A1MAPTRAB9ANPC1MAPK1
Biphenyl SCHEMBL21462355 0.61 ALDH1A1 (0.53) ALDH1A1GAAMAPTRAB9ANPC1
Biphenyl SCHEMBL2548048 0.61 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1MAPK1
Biphenyl SCHEMBL1358618 0.61 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1MAPK1
Biphenyl SCHEMBL164 0.61 ALDH1A1 (1.00) ALDH1A1MAPTRAB9ANPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735266-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-ERYTHRO-2-AMINO-1-PHENYL-1-PROPANOL EMMELLEN BIOTECH PHARMACEUTICA (IN) 2009-06-24 EP disclosed
US-7414153-B2 Process for preparation of optically active 1-erythro-2-amino-1-phenyl-1-propanol EMMELLEN BIOTECH PHARMACEUTICALS LIMITED (IN) 2008-08-19 US disclosed
US-20070203363-A1 Process For Preparation Of Optically Active 1-Erythro-2-Amino-1-Phenyl-1-Propanol EMMELLEN BIOTECH PHARMACEUTICALS LIMITED (IN) 2007-08-30 US disclosed
EP-1735266-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-ERYTHRO-2-AMINO-1-PHENYL-1-PROPANOL Emmellen Biotech Pharmaceuticals Limited (IN) 2006-12-27 EP disclosed
WO-2005100299-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE 1-ERYTHRO-2-AMINO-1-PHENYL-1-PROPANOL EMMELLEN BIOTECH PHARMACEUTICALS LIMITED (IN) 2005-10-27 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 (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-20070203363-A1 Process For Preparation Of Optically Active 1-Erythro-2-Amino-1-Phenyl-1-Propanol HMOX1, HMOX2, OXER1 ALDH1A1 312/4885CHRM1 454/4885KMT2A 794/4885

“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.