SCHEMBL3753234

SCHEMBL3753234

C=CCC(N)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
EPHX1 P07099 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP2A6 P11509 1/20 0.40
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
DPP4 P27487 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AKT1 P31749 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL10570621 1.00 ANPEP (0.44) ANPEPERAP1ERAP2EPHX1SMN1; SMN2
SCHEMBL4895850 0.81 EPHX1 (0.56) ANPEPERAP1ERAP2EPHX1SMN1; SMN2
SCHEMBL19004026 0.81 ANPEP (0.49) ANPEPERAP1ERAP2EPHX1SMN1; SMN2
SCHEMBL10051068 0.81 ANPEP (0.49) ANPEPERAP1ERAP2EPHX1SMN1; SMN2
SCHEMBL10051064 0.81 ANPEP (0.49) ANPEPERAP1ERAP2EPHX1SMN1; SMN2
Aletamine SCHEMBL122065 0.80 EPHX1 (0.64) ANPEPEPHX1SMN1; SMN2CYP2A6TAAR1
Aletamine SCHEMBL5038065 0.80 EPHX1 (0.64) ANPEPEPHX1SMN1; SMN2CYP2A6TAAR1
Aletamine SCHEMBL122064 0.78 EPHX1 (0.61) ANPEPEPHX1SMN1; SMN2CYP2A6TAAR1
SCHEMBL3239288 0.77 DPP4 (0.45) ANPEPERAP1ERAP2SMN1; SMN2DPP4
SCHEMBL17457056 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 WO disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-8383859-B2 Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia THADANI AVINASH N (CA) 2013-02-26 US disclosed
US-8350047-B2 Methods of preparing secondary carbinamine compounds with boronic acids THADANI AVINASH N (CA) 2013-01-08 US disclosed
US-8350047-B2 Methods of preparing secondary carbinamine compounds with boronic acids THADANI AVINASH N (CA) 2013-01-08 US disclosed
US-8350047-B2 Methods of preparing secondary carbinamine compounds with boronic acids THADANI AVINASH N (CA) 2013-01-08 US disclosed
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS PANASONIC CORPORATION (JP) 2010-11-25 US disclosed
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS PANASONIC CORPORATION (JP) 2010-11-25 US disclosed
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS PANASONIC CORPORATION (JP) 2010-11-25 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 US disclosed
US-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA THADANI AVINASH N 2010-07-08 US disclosed
WO-2008119161-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 WO disclosed
WO-2008119162-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 WO disclosed
WO-2008119161-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-10-09 WO disclosed
US-4845127-A ANTIBESITY ELI LILLY AND COMPANY (US) 1989-07-04 US disclosed
US-4391826-A DIETETICS ELI LILLY AND COMPANY (US) 1983-07-05 US disclosed
EP-0007204-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, USE AND PREPARATION ELI LILLY AND COMPANY (US) 1982-11-24 EP disclosed
EP-0007204-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 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 (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-20100174090-A1 METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA HNMT, AADAT, DAO ANPEP 622/4885ERAP1 3808/4885ERAP2 3631/4885
US-20100298572-A1 METHODS OF PREPARING SECONDARY CARBINAMINE COMPOUNDS WITH BORONIC ACIDS C9, BCAT2, SLC1A5 ANPEP 1249/4885ERAP1 4007/4885ERAP2 3647/4885

“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.