SCHEMBL7309258

SCHEMBL7309258

NCCc1cn(CC(=O)N2CCC[C@H]2C(=O)O)c2ccc(OCc3ccc(F)cc3Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 6/20 0.42
P2RX7 Q99572 1/20 0.39
DDR1 Q08345 3/20 0.39
DDR2 Q16832 3/20 0.39
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DPP4 P27487 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
PPARD Q03181 1/20 0.37
MMP1 P03956 2/20 0.37
ADAMTS4 O75173 1/20 0.37
TNF P01375 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL7309274 1.00 CFD (0.42) CFDP2RX7DDR1DDR2EGFR
SCHEMBL7314411 0.85 LTB4R (0.49) CFDEGFRIGF1RFLT4KDR
SCHEMBL7314423 0.85 LTB4R (0.49) CFDEGFRIGF1RFLT4KDR
SCHEMBL7310606 0.82 GYS1 (0.39) CFDDDR1DDR2EGFRIGF1R
SCHEMBL7320930 0.79 PDCD1 (0.46) FFAR1
SCHEMBL7310388 0.77 EGFR (0.51) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7314794 0.75 PPARD (0.49) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7307435 0.75 EGFR (0.47) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7318366 0.75 EGFR (0.45) EGFRIGF1RFLT4KDRPPARD
SCHEMBL7319796 0.74 EGFR (0.42) EGFRIGF1RFLT4KDRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 CFD 3192/4885P2RX7 2367/4885DDR1 1646/4885

“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.