SCHEMBL2095977

SCHEMBL2095977

COc1ccc(Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@@H]5C[C@H]4CN5)nc32)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 1/20 0.43
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
HRH4 Q9H3N8 1/20 0.39
MAP4K1 Q92918 3/20 0.39
NTRK1 P04629 2/20 0.39
CHRM2 P08172 1/20 0.38
DRD1 P21728 1/20 0.38
MAP4K2 Q12851 1/20 0.38
STK4 Q13043 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL2091973 0.92 GNRHR (0.40) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2094103 0.92 DPP4 (0.48) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2092621 0.89 CHRM1 (0.48) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2095372 0.89 DPP4 (0.46) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2092907 0.88 CHRM1 (0.37) DPP4LMNAEDNRAHRH4MAP4K1
SCHEMBL2097315 0.87 LMNA (0.46) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2095535 0.87 HRH4 (0.38) HRH4MAP4K1NTRK1MAP4K2STK4
SCHEMBL2095079 0.87 DPP4 (0.46) DPP4LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL2094019 0.86 MAP4K1 (0.36) DPP4HRH4MAP4K1NTRK1MAP4K2
SCHEMBL2096864 0.86 DPP4 (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.