SCHEMBL991290

SCHEMBL991290

CN1CCN(c2cc(CC(=O)OC(C)(C)C)c(C(F)(F)F)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TACR1 P25103 3/20 0.39
HRH4 Q9H3N8 3/20 0.37
HPGD P15428 1/20 0.37
HTR3A P46098 1/20 0.37
ALK Q9UM73 2/20 0.37
PTK2 Q05397 3/20 0.37
HRH3 Q9Y5N1 2/20 0.36
NEK2 P51955 1/20 0.36
SSTR4 P31391 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL989988 0.85 HTR3A (0.39) CYP1A2TACR1HRH4HTR3AHRH3
SCHEMBL989994 0.84 PTK2 (0.49) CYP1A2CYP2C19SMN1; SMN2TACR1HRH4
SCHEMBL991391 0.76 MTNR1A (0.40) HPGDALDH1A1TDP1MAPT
SCHEMBL990733 0.74 WNT1 (0.46) HRH4HPGDHRH3KDM4EALDH1A1
SCHEMBL989996 0.74 CYP1A2 (0.37) CYP1A2CYP2C19SMN1; SMN2TACR1HPGD
SCHEMBL1992970 0.73 KMT2A (0.56) HTR3AKDM4EALDH1A1MAPT
SCHEMBL31410409 0.72 ALK (0.53) SMN1; SMN2HPGDALK
SCHEMBL29208699 0.70 GPR119 (0.49) SMN1; SMN2HPGDALK
SCHEMBL29208722 0.70 MAP4K4 (0.49) SMN1; SMN2HPGDALK
SCHEMBL30776174 0.70 CKS1B (0.50) SMN1; SMN2HPGDALK

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 CYP1A2 4077/4885CYP2C19 3001/4885SMN1; SMN2 4485/4885

“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.