SCHEMBL2603231

SCHEMBL2603231

CNCC(=O)N1CCC(C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.36
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35

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
SCHEMBL24456531 0.90 DPP4 (0.35) EPHX2ALDH1A1HRH2HRH1MEN1
SCHEMBL23553276 0.84 DPP4 (0.48) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL19735104 0.81 ARG1 (0.36) HRH2HRH1TLR9TLR8TLR7
SCHEMBL20381496 0.81 DPP4 (0.45) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL12876398 0.81 EPHX2 (0.50) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL2603228 0.80 DPP4 (0.50) ALDH1A1TLR9TLR8TLR7POLB
SCHEMBL12125446 0.80 CPN1 (0.41) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL24098153 0.80 EPHX2 (0.40) EPHX2ALDH1A1NPC1HRH2HRH1
SCHEMBL2603234 0.79 ALDH1A1 (0.41) EPHX2ALDH1A1NPC1CPN1CPB2
SCHEMBL13119145 0.79 ALDH1A1 (0.41) EPHX2ALDH1A1NPC1HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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 (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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 EPHX2 1225/4885ALDH1A1 361/4885NPC1 155/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 EPHX2 834/4885ALDH1A1 285/4885NPC1 204/4885

“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.