SCHEMBL499666

SCHEMBL499666

CON(C)C(=O)CCN(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL15061394 0.88 BCHE (0.37) PHF8KDM2A
SCHEMBL23703653 0.85 BCHE (0.44) PHF8KDM2A
SCHEMBL14081818 0.80 MEN1 (0.37) KMT2AMEN1PHF8KDM2A
SCHEMBL4019745 0.79 PHF8 (0.39) KMT2AMEN1NPC1RAB9APHF8
SCHEMBL15973939 0.78 NPC1 (0.31) NPC1RAB9A
SCHEMBL3297922 0.78 ALDH1A1 (0.46) KMT2ANPC1RAB9APHF8KDM2A
SCHEMBL1921576 0.77 MEN1 (0.35) KMT2AMEN1
SCHEMBL499576 0.76 HDAC6 (0.38)
SCHEMBL15684245 0.76 PHF8 (0.54) NPC1RAB9APHF8KDM2A
SCHEMBL22205611 0.75 LMNA (0.44) KMT2AMEN1PHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
US-10941138-B2 Quinoline and isoquinoline derivatives for treating pain and pain related conditions ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-03-09 US disclosed
US-20200087291-A1 NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-03-19 US disclosed
EP-3558965-A1 NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-10-30 EP disclosed
WO-2018115064-A1 NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2018-06-28 WO disclosed
EP-3339304-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS Laboratorios del Dr. Esteve, S.A. (ES) 2018-06-27 EP disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-10941138-B2 Quinoline and isoquinoline derivatives for treating pain and pain related conditions CACNA1B, SCN2A, CACNA1C KMT2A 1993/4885MEN1 4032/4885NPC1 701/4885
US-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP KMT2A 3830/4885MEN1 2445/4885NPC1 898/4885
US-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 KMT2A 3286/4885MEN1 2794/4885NPC1 656/4885
US-20200087291-A1 NEW QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, SCN2A, CACNA1C KMT2A 1767/4885MEN1 4112/4885NPC1 660/4885

“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.