SCHEMBL2093243

SCHEMBL2093243

OC[C@H](NC1CC[N]C1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
RIPK1 Q13546 1/20 0.38
MAN2A1 Q16706 3/20 0.38
MAN1B1 Q9UKM7 3/20 0.38
MAN2B1 O00754 2/20 0.38
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
EPHX2 P34913 2/20 0.36
MAPK13 O15264 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
PRKCG P05129 1/20 0.35
CDK1 P06493 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL2092719 1.00 MGAM (0.43) MGAMSIKCNQ3KCNQ2RIPK1
SCHEMBL20144687 0.79 GAA (0.56) MGAMSIKCNQ3KCNQ2NPC1
SCHEMBL20144711 0.78 GAA (0.54) MGAMSIKCNQ3KCNQ2NPC1
SCHEMBL2097524 0.76 GAA (0.62)
SCHEMBL8084473 0.75 SOS1 (0.53) MGAMSIKCNQ3KCNQ2RIPK1
SCHEMBL10526965 0.66 RIPK1 (0.49) MGAMSIKCNQ3KCNQ2RIPK1
SCHEMBL4712344 0.66 CARM1 (0.39) EPHX2CDK1CDK2CDK5
SCHEMBL11635611 0.66 MGAM (0.42) MGAMSIKCNQ3KCNQ2RIPK1
SCHEMBL10186261 0.66 PDPK1 (0.49) MGAMSIEPHX2
SCHEMBL27681320 0.65 MAN2B1 (0.42) MGAMSIKCNQ3KCNQ2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP claimed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO claimed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
EP-1631570-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Abbott Laboratories (US) 2006-03-08 EP disclosed
WO-2004083207-A1 NAPHTHYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS ABBOTT LABORATORIES (US) 2004-09-30 WO disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 MGAM 321/4885SI 4/4885KCNQ3 3586/4885

“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.