SCHEMBL2095079

SCHEMBL2095079

COc1ccc(Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@@H]5C[C@H]4CN5)nc32)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
TOP1 P11387 7/20 0.41
RXFP1 Q9HBX9 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.40
NTRK1 P04629 2/20 0.40
MAP4K1 Q92918 2/20 0.40
CHRM2 P08172 1/20 0.39
DRD1 P21728 1/20 0.39
MAP4K2 Q12851 1/20 0.39
STK4 Q13043 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL2096864 0.92 DPP4 (0.45) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2092621 0.91 CHRM1 (0.48) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2094103 0.89 DPP4 (0.48) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2097315 0.88 LMNA (0.46) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2094219 0.88 LMNA (0.48) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2095372 0.87 DPP4 (0.46) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2095977 0.87 DPP4 (0.43) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2093967 0.86 LMNA (0.46) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2092645 0.86 LMNA (0.46) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2094302 0.86 LMNA (0.45) DPP4LMNACYP2C9ATP6V1B2TBXA2R

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-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
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 DPP4 443/4885LMNA 2661/4885CYP2C9 45/4885

“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.