SCHEMBL12038457

SCHEMBL12038457

O=C(O)CN1CCNCCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ SIGMAR1 Q99720 4/20 0.33
▸ TSHR P16473 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31

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
SCHEMBL14522328 1.00 CHRM5 (0.35) CHRM5CHRM3HSD17B10SIGMAR1TSHR
SCHEMBL12231841 0.99 CHRM5 (0.34) CHRM5CHRM3HSD17B10SIGMAR1TSHR
SCHEMBL1241407 0.93 CHRM5 (0.39) CHRM5CHRM3SIGMAR1EGFR
SCHEMBL29673006 0.91 CHRM5 (0.38) CHRM5CHRM3SIGMAR1EGFR
SCHEMBL560792 0.91 HSD17B10 (0.39) HSD17B10TSHRSLC6A9
SCHEMBL15518427 0.91 HSD17B10 (0.39) HSD17B10TSHRSLC6A9
SCHEMBL6666931 0.89 SLC6A9 (0.33) CHRM5CHRM3SLC6A9
SCHEMBL17057486 0.87 HSD17B10 (0.36) CHRM5CHRM3HSD17B10TSHRSLC6A9
SCHEMBL17053358 0.87 HSD17B10 (0.36) CHRM5CHRM3HSD17B10TSHRSLC6A9
SCHEMBL25518167 0.84 HSD17B10 (0.32) HSD17B10

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-20230159495-A1 COMPOUND OR ITS SALT THEREOF TARGETING FIBROBLAST ACTIVATION PROTEIN, ITS PREPARATION METHODS AND ITS USES THEREOF INSTITUTE OF NUCLEAR ENERGY RESEARCH ATOMIC ENERGY COUNCIL, R.O.C. (TW) 2023-05-25 — — US disclosed
US-20110300147-A9 Inhibiting tumor cell invasion, metastasis and angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2011-12-08 — — US disclosed
US-20090175873-A1 Inhibiting tumor cell invasion, metastasis and angiogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-09 — — 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 (3 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-20090175873-A1 Inhibiting tumor cell invasion, metastasis and angiogenesis MMP9, TIMP3, MMP3 CHRM5 4806/4885CHRM3 4745/4885HSD17B10 1777/4885
US-20110300147-A9 Inhibiting tumor cell invasion, metastasis and angiogenesis MMP9, TIMP3, MMP3 CHRM5 4806/4885CHRM3 4745/4885HSD17B10 1777/4885
US-20230159495-A1 COMPOUND OR ITS SALT THEREOF TARGETING FIBROBLAST ACTIVATION PROTEIN, ITS PREPARATION METHODS AND ITS USES THEREOF FIBP, FGFR2, FGFR1 CHRM5 4790/4885CHRM3 4788/4885HSD17B10 3671/4885

“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.

Send feedback