SCHEMBL7586932

SCHEMBL7586932

CCCCC(C)CNCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAOA P21397 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 1/20 0.43
CNR2 P34972 1/20 0.43
BCHE P06276 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
ANPEP P15144 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41

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
SCHEMBL7605775 0.93 MAOA (0.46) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL9274171 0.93 MAOA (0.46) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL20417941 0.89 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL22052987 0.89 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL8826109 0.86 SIGMAR1 (0.53) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL14636033 0.86 MAOA (0.58) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL8826112 0.86 SIGMAR1 (0.53) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL15873615 0.85 ANPEP (0.44) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL9407510 0.83 MEN1 (0.56) ALDH1A1CYP1A2CYP2D6MAOAMEN1
SCHEMBL24762812 0.82 MEN1 (0.50) ALDH1A1CYP1A2CYP2D6MAOAMEN1

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-20020193636-A1 Benzaldehyde reacted with a primary amine to give an imine, which is hydrogenated with hydrogen in the presence of a catalyst and a water miscible solvent BASF AKTIENGESELLCHAFT (DE) 2002-12-19 US disclosed
US-6476268-B1 Preparation of N-benzylamines BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-1247799-A2 Process for the preparation of N-benzylamines BASF AKTIENGESELLSCHAFT (DE) 2002-10-09 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 (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-20020193636-A1 Benzaldehyde reacted with a primary amine to give an imine, which is hydrogenated with hydrogen in the presence of a catalyst and a water miscible solvent HNMT, INMT, H1-2 ALDH1A1 247/4885CYP1A2 419/4885CYP2D6 1752/4885

“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.