SCHEMBL14469578

SCHEMBL14469578

C[C@H](NCc1ccc(CN[C@H](C)c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.82
CASR P41180 4/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
CYP3A4 P08684 2/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
CHRM2 P08172 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
SMPD1 P17405 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL79765 0.96 SMN1; SMN2 (0.76) SMN1; SMN2CASRMEN1KMT2ACYP3A4
SCHEMBL29560 0.96 SMN1; SMN2 (0.76) SMN1; SMN2CASRMEN1KMT2ACYP3A4
SCHEMBL774613 0.96 SMN1; SMN2 (0.76) SMN1; SMN2CASRMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL9635019 0.94 SMN1; SMN2 (0.79) SMN1; SMN2CASRMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL27830673 0.94 SMN1; SMN2 (0.79) SMN1; SMN2CASRMEN1KMT2ACYP3A4
SCHEMBL27939948 0.94 SMN1; SMN2 (0.73) SMN1; SMN2CASRMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL5493749 0.94 SMN1; SMN2 (0.79) SMN1; SMN2CASRMEN1KMT2ACYP3A4
SCHEMBL2167943 0.92 SMN1; SMN2 (0.96) SMN1; SMN2CASRMEN1KMT2ACYP3A4
SCHEMBL1750017 0.92 SMN1; SMN2 (0.72) SMN1; SMN2CASRMEN1KMT2ACYP3A4
SCHEMBL27838298 0.92 SMN1; SMN2 (0.96) SMN1; SMN2CASRMEN1KMT2ACYP3A4

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-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 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-20070154948-A1 Novel antibacterial agents ENGASE, PGLS, PEPD SMN1; SMN2 4852/4885CASR 3469/4885MEN1 3984/4885

“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.