SCHEMBL9906195

SCHEMBL9906195

Nc1ccc(CC2CN(CC(=O)O)CCN(CC(=O)O)Cc3cccc(n3)CN2CC(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 2/20 0.37
DPP4 P27487 2/20 0.35
FOLH1 Q04609 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL16644695 1.00 CHIT1 (0.37) CHIT1DPP4FOLH1DPP7CA1
SCHEMBL16642308 0.94 CHIT1 (0.37) CHIT1DPP4FOLH1DPP7
SCHEMBL9906205 0.94 FOLH1 (0.38) CHIT1DPP4FOLH1CA1CA2
SCHEMBL16640623 0.92 CHIT1 (0.37) CHIT1DPP4FOLH1DPP7CA1
SCHEMBL19389406 0.90 L3MBTL1 (0.38) CHIT1DPP4FOLH1
SCHEMBL10060134 0.90 CHIT1 (0.37) CHIT1DPP4FOLH1
SCHEMBL18807569 0.90 L3MBTL1 (0.38) CHIT1DPP4FOLH1
SCHEMBL18807567 0.90 FOLH1 (0.34) CHIT1DPP4FOLH1SIGMAR1ROCK1
SCHEMBL24296867 0.89 DRD2 (0.38) CHIT1DPP4FOLH1
SCHEMBL22815168 0.87 FOLH1 (0.38) CHIT1DPP4FOLH1DPP7ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046947-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-02-16 US disclosed
US-20220401856-A1 CHROMATOGRAPHIC SEPARATION OF METALS USING DOTA-BASED CHELATORS NRG PALLAS B.V. (NL) 2022-12-22 US disclosed
WO-2021110860-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2021-06-10 WO disclosed
US-9827444-B2 Radioactive epoxy in ophthalmic brachytherapy IP LIBERTY VISION CORPORATION (US) 2017-11-28 US disclosed
EP-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 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 (4 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ CHIT1 228/4885DPP4 4606/4885FOLH1 110/4885
US-20230046947-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A CHIT1 1137/4885DPP4 1960/4885FOLH1 466/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 CHIT1 217/4885DPP4 4610/4885FOLH1 91/4885
US-20220401856-A1 CHROMATOGRAPHIC SEPARATION OF METALS USING DOTA-BASED CHELATORS CCKBR, TBCB, ABCB7 CHIT1 3393/4885DPP4 3322/4885FOLH1 180/4885

“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.