SCHEMBL276903

SCHEMBL276903

CC(C)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HTT P42858 2/20 0.52
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 3/20 0.44
USP30 Q70CQ3 1/20 0.43
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ACACB O00763 2/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX12 P18054 1/20 0.36
RAB9A P51151 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL14924082 1.00 KDM4E (0.52) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL23328644 0.81 HTT (0.39) HTTPDE3BPDE3AACACB
SCHEMBL13695536 0.81 KDM4E (0.55) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL14924431 0.81 KDM4E (0.55) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL10034107 0.81 KDM4E (0.55) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL18436044 0.81 KDM4E (0.55) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL19194075 0.80 KDM4E (0.48) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL13370661 0.79 HTT (0.54) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL16671146 0.79 HTT (0.54) KDM4EHTTPDE3BPDE3AALDH1A1
SCHEMBL30748794 0.79 HTT (0.54) KDM4EHTTPDE3BPDE3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133513-B2 Solid preparation having improved solubility SHIONOGI & CO., LTD. (JP) 2012-03-13 US disclosed
US-8133513-B2 Solid preparation having improved solubility SHIONOGI & CO., LTD. (JP) 2012-03-13 US disclosed
US-20100240711-A1 SOLID PREPARATION COMPRISING NPYY5 RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2010-09-23 US disclosed
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY SHIONOGI & CO., LTD. (JP) 2009-04-23 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-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY NUDT1, PDE7A, SLC7A1 KDM4E 3013/4885HTT 1214/4885PDE3B 745/4885
US-20100240711-A1 SOLID PREPARATION COMPRISING NPYY5 RECEPTOR ANTAGONIST NPY5R, SSTR5, NPY1R KDM4E 980/4885HTT 2630/4885PDE3B 1102/4885

“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.