SCHEMBL990622

SCHEMBL990622

CCOC(=O)CC1(O)c2cc(OC)ccc2CCC1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 4/20 0.41
OPRM1 P35372 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTNR1A P48039 5/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1B P49286 5/20 0.39
NQO2 P16083 3/20 0.39

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
SCHEMBL3589741 0.92 MTNR1A (0.40) OPRM1MTNR1AKMT2AMTNR1BNQO2
SCHEMBL4911889 0.75 OPRM1 (0.42) POLA1OPRM1CYP3A4CYP2C9TSHR
SCHEMBL11459392 0.73 BRD4 (0.42) POLA1OPRM1CYP3A4CYP2C9CYP2C19
SCHEMBL1470331 0.70 MTNR1A (0.60) MTNR1AMTNR1BNQO2
SCHEMBL10998258 0.70 KDM1A (0.46) OPRM1CYP2C19ALDH1A1KMT2A
SCHEMBL5859227 0.69 CYP19A1 (0.53) MTNR1AKMT2AMTNR1B
SCHEMBL2305878 0.69 CYP26A1 (0.56) MTNR1AKMT2AMTNR1B
SCHEMBL14005909 0.68 OPRM1 (0.36) POLA1OPRM1ALDH1A1OPRK1
SCHEMBL11458608 0.68 OPRM1 (0.39) POLA1OPRM1CYP3A4CYP2C9TSHR
SCHEMBL11457213 0.68 OPRM1 (0.39) OPRM1CYP3A4CYP2C9CYP2C19MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426440-B2 Indolymaleimide derivatives NOVARTIS AG (CH) 2013-04-23 US disclosed
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-2246346-B1 Indolylmaleimide derivatives as protein kinase inhibitors NOVARTIS AG (CH) 2012-10-24 EP disclosed
EP-1904482-B1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2011-01-19 EP disclosed
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
EP-2246346-A1 Indolylmaleimide derivatives as protein kinase inhibitors Novartis AG (CH) 2010-11-03 EP disclosed
US-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES WAGNER JUERGEN 2010-10-28 US disclosed
US-7781438-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2010-08-24 US disclosed
US-7648989-B2 Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2010-01-19 US disclosed
US-20080318975-A1 Indolylmaleimide Derivatives NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1904482-A2 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2008-04-02 EP disclosed
EP-1745037-A1 INDOLYLMALEIMIDE DERIVATIVES AS PKC INHIBITORS Novartis AG (CH) 2007-01-24 EP disclosed
WO-2007006533-A2 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2007-01-18 WO 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 (3 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-20100273774-A1 INDOLYMALEIMIDE DERIVATIVES IDO1, INMT, IDO2 POLA1 3445/4885OPRM1 866/4885CYP3A4 321/4885
US-20080242675-A1 Indolylmaleimide Derivatives as Pkc Inhibitors PRKCE, PRKCH, PRKCI POLA1 4705/4885OPRM1 3358/4885CYP3A4 2739/4885
US-20080318975-A1 Indolylmaleimide Derivatives IDH3A, INMT, IDH3B POLA1 4197/4885OPRM1 610/4885CYP3A4 47/4885

“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.