SCHEMBL4081314

SCHEMBL4081314

COC(=O)Cc1cc(N2CCN(C)CC2)cc(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
MAPK1 P28482 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
CCR1 P32246 1/20 0.37
ADAMTS4 O75173 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
USP2 O75604 1/20 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
SCHEMBL4075540 0.84 ADAMTS5 (0.38) RAB9AMAPK1OPRM1OPRD1KMT2A
SCHEMBL4077384 0.72 GPR35 (0.41) RAB9AMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL2370530 0.71 SMN1; SMN2 (0.60) RAB9AMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL990666 0.70 SIRT6 (0.46) MAPK1MAPTALDH1A1LMNASIRT6
SCHEMBL29589898 0.69 AGXT (0.58) RAB9AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL15710135 0.69 AGXT (0.58) RAB9AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL20424740 0.69 ALDH1A1 (0.52) RAB9AMAPK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL20425029 0.69 RAB9A (0.49) RAB9AMAPK1MAPTSMN1; SMN2KMT2A
SCHEMBL13038941 0.69 NLRP3 (0.42) OPRM1OPRD1MAPTKMT2AALDH1A1
SCHEMBL6663891 0.69 NCF1 (0.51) MAPK1SMN1; SMN2KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534808-B2 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2009-05-19 US disclosed
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2008-06-19 US disclosed
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug EVENOU JEAN-PIERRE 2008-05-08 US disclosed
US-7358253-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2008-04-15 US disclosed
US-7235555-B2 Indolylmaleimide derivatives NOVARTIS AG (CH) 2007-06-26 US disclosed
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease ELANCO TIERGESUNDHEIT AG (CH) 2007-02-15 US disclosed
US-20070032507-A1 Indolylmaleimide derivatives ELANCO TIERGESUNDHEIT AG (CH) 2007-02-08 US disclosed
US-20050119274-A1 Indolylmaleimide derivatives NOVARTIS AG (CH) 2005-06-02 US disclosed
EP-1490355-A1 INDOLYLMALEIMIDE DERIVATIVES Novartis AG (CH) 2004-12-29 EP disclosed
WO-2003082859-A1 INDOLYLMALEIMIDE DERIVATIVES NOVARTIS AG (CH) 2003-10-09 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 (5 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-20070032507-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK RAB9A 1242/4885MAPK1 467/4885OPRM1 1563/4885
US-20080108628-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC; may be coadminstered with an immunosuppressant, immunomodulatory, anti-inflammatory, antiproliferative or anti-diabetic drug NFATC1, CD4, LCK RAB9A 2881/4885MAPK1 75/4885OPRM1 4298/4885
US-20050119274-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK RAB9A 1242/4885MAPK1 467/4885OPRM1 1563/4885
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES MYLK2, LCK, DGKK RAB9A 1264/4885MAPK1 582/4885OPRM1 1495/4885
US-20070037826-A1 Treatment of diseases or disorders mediated by T lymphocytes and/or PKC, e.g., acute or chronic rejection of organ or tissue allo- or xenografts or graft versus host disease DGKK, DGKG, HLA-DRB1 RAB9A 1339/4885MAPK1 311/4885OPRM1 1686/4885

“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.