SCHEMBL3555472

SCHEMBL3555472

C[C@@H](c1ccc(NCCN(C)C)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.37
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
SCN7A Q01118 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3550509 0.78 L3MBTL1 (0.40) UTS2RHPGDHTR2AHRH1KDM4E
SCHEMBL27534808 0.76 HPGD (0.42) HPGDLMNACYP1A2MAOACNR1
SCHEMBL2197629 0.75 KDM4E (0.43) MAPK1SLC6A3KDM4ERAB9AMEN1
SCHEMBL2202175 0.74 ALDH1A1 (0.49) HPGDSLC6A3KDM4EMEN1KMT2A
SCHEMBL1448846 0.74 ESR1 (0.42) LMNACYP1A2DRD3SLC6A3BLM
SCHEMBL2429212 0.74 ESR1 (0.42) LMNACYP1A2DRD3SLC6A3BLM
SCHEMBL12648603 0.73 HPGD (0.47) HPGDLMNAMAPK1KDM4EMEN1
SCHEMBL2200379 0.73 ADRB2 (0.44) LMNACYP1A2ACHEKCNH2KDM4E
SCHEMBL2198620 0.73 ADRB2 (0.44) LMNACYP1A2ACHEKCNH2KDM4E
SCHEMBL2107176 0.73 PPARA (0.41) LMNAHTR2AKDM4EBLMPMP22

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-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A UTS2R 1127/4885HPGD 4322/4885LMNA 2017/4885

“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.