SCHEMBL4023586

SCHEMBL4023586

C[C@H](N)[C@@H]1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
DPP4 P27487 2/20 0.50
ACE P12821 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4023584 1.00 HPGD (0.56) HPGDTSHRDPP4ACEPDE4A
SCHEMBL9437297 1.00 HPGD (0.56) HPGDTSHRDPP4ACEPDE4A
SCHEMBL24225536 0.88 HPGD (0.59) HPGDTSHRDPP4PDE4APDE4B
SCHEMBL9143624 0.87 HPGD (0.55) HPGDTSHRDPP4ACEPDE4A
SCHEMBL19499466 0.85 HPGD (0.56) HPGDTSHRDPP4PDE4APDE4B
SCHEMBL10503210 0.83 HPGD (0.54) HPGDTSHRDPP4ACEPDE4A
SCHEMBL9147023 0.79 HPGD (0.52) HPGDTSHRDPP4PDE4APDE4B
SCHEMBL3009629 0.78 HPGD (0.55) HPGDTSHRDPP4PDE4APDE4B
SCHEMBL3009626 0.78 HPGD (0.55) HPGDTSHRDPP4PDE4APDE4B
SCHEMBL27816332 0.78 HPGD (0.55) HPGDTSHRDPP4PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
EP-1015445-B1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES PROCTER & GAMBLE (US) 2009-02-25 EP disclosed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 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 (2 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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 HPGD 1459/4885TSHR 1826/4885DPP4 469/4885
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 HPGD 1484/4885TSHR 692/4885DPP4 871/4885

“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.