SCHEMBL7582829

SCHEMBL7582829

Cc1ccc(C(C)NCc2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.83
CASR P41180 2/20 0.54
POLB P06746 1/20 0.53
HTT P42858 3/20 0.52
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
SMPD1 P17405 1/20 0.46
DRD1 P21728 1/20 0.46

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
SCHEMBL2167943 0.93 SMN1; SMN2 (0.96) SMN1; SMN2CASRPOLBHTTMEN1
SCHEMBL27838298 0.93 SMN1; SMN2 (0.96) SMN1; SMN2CASRPOLBHTTMEN1
SCHEMBL11881252 0.92 SMN1; SMN2 (0.70) SMN1; SMN2CASRPOLBHTTSIGMAR1
SCHEMBL11877256 0.90 SMN1; SMN2 (0.79) SMN1; SMN2CASRPOLBMEN1KMT2A
SCHEMBL29560 0.88 SMN1; SMN2 (0.76) SMN1; SMN2CASRPOLBHTTSIGMAR1
SCHEMBL79765 0.88 SMN1; SMN2 (0.76) SMN1; SMN2CASRPOLBHTTSIGMAR1
SCHEMBL774613 0.88 SMN1; SMN2 (0.76) SMN1; SMN2CASRPOLBHTTSIGMAR1
Hydrochloric Acid SCHEMBL9635019 0.86 SMN1; SMN2 (0.79) SMN1; SMN2CASRPOLBHTTSIGMAR1
Hydrochloric Acid SCHEMBL27830673 0.86 SMN1; SMN2 (0.79) SMN1; SMN2CASRPOLBHTTSIGMAR1
Hydrochloric Acid SCHEMBL5493749 0.86 SMN1; SMN2 (0.79) SMN1; SMN2CASRPOLBHTTSIGMAR1

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 SMN1; SMN2 756/4885CASR 4693/4885POLB 201/4885

“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.