SCHEMBL13848831

SCHEMBL13848831

CCOC(=O)c1cnn(C(C)C)c1CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PDE4B Q07343 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
GUCY1A1 Q02108 1/20 0.40
GUCY1B1 Q02153 1/20 0.40

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
SCHEMBL573504 0.84 KMT2A (0.48) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL30984284 0.83 TSHR (0.47) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL2671551 0.82 TSHR (0.46) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL13848674 0.82 TSHR (0.46) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL2671242 0.82 TSHR (0.46) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL1694898 0.82 TSHR (0.59) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL23122492 0.81 TSHR (0.45) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL16229739 0.80 RAB9A (0.48) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL20689544 0.78 KMT2A (0.43) TSHRKMT2AMEN1RAB9ANPC1
SCHEMBL4216729 0.78 KDM4E (0.48) TSHRKMT2AMEN1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 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 (1 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-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A TSHR 4112/4885KMT2A 4801/4885MEN1 4656/4885

“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.