SCHEMBL3589741

SCHEMBL3589741

CCOC(=O)CC1(O)c2ccc(OC)cc2CCC1Cl

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
KMT2A Q03164 1/20 0.38
NQO2 P16083 5/20 0.38
OPRM1 P35372 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
DRD4 P21917 2/20 0.37

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
SCHEMBL990622 0.92 POLA1 (0.41) MTNR1AMTNR1BKMT2ANQO2OPRM1
SCHEMBL10998258 0.76 KDM1A (0.46) KMT2AOPRM1
SCHEMBL19995876 0.73 KMT2A (0.41) KMT2AOPRM1
SCHEMBL5859227 0.71 CYP19A1 (0.53) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL2305878 0.71 CYP26A1 (0.56) MTNR1AMTNR1BKMT2ACA1CA2
SCHEMBL4911889 0.70 OPRM1 (0.42) OPRM1
SCHEMBL1470331 0.69 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL821099 0.69 PPARD (0.60) MTNR1AMTNR1BNQO2
SCHEMBL12035617 0.69 PPARD (0.60) MTNR1AMTNR1BNQO2
SCHEMBL821443 0.69 PPARD (0.60) MTNR1AMTNR1BNQO2

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-7691861-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2010-04-06 US disclosed
US-20080234494-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-09-25 US disclosed
EP-1709030-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2008-04-02 EP disclosed
EP-1709030-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005068454-A1 INDOLYLMALEIMIDE DERIVATIVES 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-20080234494-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH2 MTNR1A 79/4885MTNR1B 65/4885KMT2A 1853/4885

“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.