SCHEMBL2114896

SCHEMBL2114896

NC1CC12CCCN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.59
CHRM2 P08172 2/20 0.53
DRD1 P21728 1/20 0.53
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
HSD17B10 Q99714 2/20 0.49
ABCC4 O15439 1/20 0.49
DHFR P00374 1/20 0.48
KMT2A Q03164 1/20 0.47
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
GSK3B P49841 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 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
SCHEMBL8322856 1.00 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8323268 1.00 DPP4 (0.59) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL9572096 0.95 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8325094 0.90 DPP4 (0.64) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8322847 0.87 DPP4 (0.62) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8775460 0.86 DPP4 (0.64) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8322844 0.85 DPP4 (0.63) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10377708 0.85 DPP4 (0.66) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10377719 0.84 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL10377337 0.84 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed
EP-0641339-B1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER (US) 1999-09-15 EP claimed
US-5407943-A Azaspiro quinolone antibacterial agents PFIZER INC. (US) 1995-04-18 US claimed
EP-0641339-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1995-03-08 EP claimed
WO-1992022550-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1992-12-23 WO claimed
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US disclosed
EP-0641339-B1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER (US) 1999-09-15 EP disclosed
US-5407943-A Azaspiro quinolone antibacterial agents PFIZER INC. (US) 1995-04-18 US disclosed
EP-0641339-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1995-03-08 EP disclosed
EP-0550016-A1 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
WO-1992022550-A1 AZASPIRO QUINOLONE ANTIBACTERIAL AGENTS PFIZER INC. (US) 1992-12-23 WO 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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 DPP4 1787/4885CHRM2 4883/4885DRD1 4043/4885

“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.