SCHEMBL2390660

SCHEMBL2390660

CC(NN[C@@H](C)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM2 P08172 2/20 0.52
ADRA1A P35348 2/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
SMPD1 P17405 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD3 P35462 1/20 0.52
CASR P41180 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL2390659 1.00 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL28869351 1.00 CYP3A4 (0.52) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL29134122 0.92 GAA (0.50) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL12654171 0.85 HSD17B10 (0.46) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL13345205 0.83 HSD17B10 (0.48) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL4446432 0.82 APAF1 (0.53) CYP2D6LMNAMEN1KMT2AALDH1A1
SCHEMBL30763462 0.82 SIGMAR1 (0.61) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL283979 0.82 SIGMAR1 (0.61) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL1200137 0.82 SIGMAR1 (0.61) CYP3A4CYP2D6CHRM2ADRA1AHTR1A
SCHEMBL8437895 0.82 SIGMAR1 (0.61) CYP3A4CYP2D6CHRM2ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110218361-A1 METHOD FOR PRODUCING COMPOUND FOR PREPARATION OF ANTI-PARKINSON'S DISEASE DRUG EVERLIGHT USA, INC. (US) 2011-09-08 US 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-20110218361-A1 METHOD FOR PRODUCING COMPOUND FOR PREPARATION OF ANTI-PARKINSON'S DISEASE DRUG PARK7, RAB35, RAB7A CYP3A4 614/4885CYP2D6 339/4885CHRM2 652/4885

“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.