Ethylamine

Ethylamine

SCHEMBL4450987

CCN.O=C(O)C(c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
SLC6A4 P31645 1/20 0.46
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ACP3 P15309 1/20 0.41
PTGER4 P35408 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
EPHX2 P34913 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1514613 0.91 ALDH1A1 (0.55) ALDH1A1SLC6A4CYP2C9CYP2C19HPGD
SCHEMBL328867 0.82 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL28227064 0.81 ALDH1A1 (0.60) ALDH1A1SLC6A4CYP2C9CYP2C19HPGD
SCHEMBL10863955 0.80 ALDH1A1 (0.55) ALDH1A1SLC6A4CYP2C9CYP2C19HPGD
SCHEMBL4450988 0.75 ALDH1A1 (0.48) ALDH1A1SLC6A4CYP2C9CYP2C19HPGD
SCHEMBL31344396 0.74 ROCK2 (0.52) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL22614679 0.74 ROCK2 (0.52) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL4779691 0.74 ROCK2 (0.52) ALDH1A1CYP2C9CYP2C19HPGDHTT
SCHEMBL447136 0.74 CYP2C9 (0.48) ALDH1A1SLC6A4CYP2C9CYP2C19HPGD
SCHEMBL31344399 0.74 ROCK2 (0.52) ALDH1A1CYP2C9CYP2C19HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253932-A1 Resolution of Racemic Organic Acids with (1S, 4S)-4[3,4-Dichlorophenyl]-1,2,3,4-Tetrahydro-N-Methyl-1-Naphthaloneamine MATRIX LABORATORIES LTD (IN) 2009-10-08 US disclosed
EP-1831132-A2 RESOLUTION OF RACEMIC ORGANIC ACIDS WITH (1S, 4S)-4[3,4-DICHLOROPHENYL]-1,2,3,4- TETRAHYDRO-N-METHYL-1-NAPHTHALONEAMINE Matrix Laboratories Ltd (IN) 2007-09-12 EP disclosed
WO-2006013581-A2 RESOLUTION OF RACEMIC ORGANIC ACIDS WITH (1S, 4S)-4[3,4-DICHLOROPHENYL]-1,2,3,4- TETRAHYDRO-N-METHYL-1-NAPHTHALONEAMINE MATRIX LABORATORIES LTD (IN) 2006-02-09 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-20090253932-A1 Resolution of Racemic Organic Acids with (1S, 4S)-4[3,4-Dichlorophenyl]-1,2,3,4-Tetrahydro-N-Methyl-1-Naphthaloneamine HTR4, OXER1, CYP2S1 ALDH1A1 464/4885SLC6A4 75/4885CYP2C9 190/4885

“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.