SCHEMBL1306917

SCHEMBL1306917

O=C(NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccc2c(c1)ncn2CCNC(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.43
HSD11B1 P28845 12/20 0.42
EPHX2 P34913 2/20 0.38
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
USP2 O75604 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1307224 1.00 IDH1 (0.43) IDH1HSD11B1EPHX2MAPK8ALDH1A1
SCHEMBL1306911 1.00 IDH1 (0.43) IDH1HSD11B1EPHX2MAPK8ALDH1A1
SCHEMBL1307030 0.92 HSD11B1 (0.39) HSD11B1EPHX2MAPK8ALDH1A1NPC1
SCHEMBL1308433 0.89 HSD11B1 (0.38) IDH1HSD11B1EPHX2MAPK8ALDH1A1
SCHEMBL1308731 0.89 ALDH1A1 (0.44) HSD11B1EPHX2ALDH1A1MAPK1
SCHEMBL12053708 0.89 ALDH1A1 (0.44) HSD11B1EPHX2ALDH1A1MAPK1
SCHEMBL1306186 0.89 ALDH1A1 (0.44) HSD11B1EPHX2ALDH1A1MAPK1
SCHEMBL1308015 0.89 HSD11B1 (0.37) HSD11B1EPHX2MAPK8
SCHEMBL1308203 0.81 TYRO3 (0.46) HSD11B1EPHX2
SCHEMBL1306920 0.80 IDH1 (0.46) IDH1HSD11B1ALDH1A1NPC1USP2

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-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US claimed
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 US claimed
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP claimed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO claimed
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC (US) 2011-12-22 US disclosed
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-07 US disclosed
EP-1945207-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES Transtech Pharma, Inc. (US) 2008-07-23 EP disclosed
WO-2007051811-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 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 (2 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-20090118259-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, CYP11B1, HSD11B2 IDH1 350/4885HSD11B1 1/4885EPHX2 1343/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 IDH1 436/4885HSD11B1 1/4885EPHX2 1248/4885

“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.