SCHEMBL990735

SCHEMBL990735

Cc1cnc(Cl)cc1CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
AAK1 Q2M2I8 4/20 0.34
ALDH1A1 P00352 4/20 0.34
STK17B O94768 1/20 0.34
STK17A Q9UEE5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL25583881 0.84 MTNR1A (0.48) MTNR1AMTNR1BCCNB2CCNE2CDK1
SCHEMBL991391 0.82 MTNR1A (0.40) MTNR1AMTNR1BCCNB2CCNE2CDK1
SCHEMBL18068202 0.79 STK17B (0.34) AAK1STK17BSTK17ATRPA1
SCHEMBL13136742 0.76 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL989988 0.74 HTR3A (0.39) RAB9A
SCHEMBL20850921 0.74 ATR (0.39) LMNAKMT2A
SCHEMBL15308412 0.73 CTDSP1 (0.40) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL1724531 0.73 MTNR1A (0.36) MTNR1AMTNR1BCCNB2CCNE2CDK1
SCHEMBL24094543 0.73 MTNR1A (0.36) MTNR1AMTNR1BAAK1ALDH1A1KDM4E
SCHEMBL9926560 0.73 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745037-B1 Indolylmaleimide derivatives as inhibitors for the treatment of graft rejection or autoimmune diseases NOVARTIS AG (CH) 2013-01-02 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1745037-A1 INDOLYLMALEIMIDE DERIVATIVES AS PKC INHIBITORS Novartis AG (CH) 2007-01-24 EP disclosed
WO-2005068455-A1 INDOLYLMALEIMDE DERIVATIVES AS PKC INHIBITORS NOVARTIS AG (CH) 2005-07-28 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 (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-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI MTNR1A 3055/4885MTNR1B 2353/4885CCNB2 3960/4885

“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.