SCHEMBL4089115

SCHEMBL4089115

COCC[C@@H]1C[N]CCN1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 2/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL5452519 1.00 CHRNB2 (0.30) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL2917170 0.89
SCHEMBL2911551 0.83 CHRNB2 (0.32) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL2911265 0.80
SCHEMBL6050339 0.78
SCHEMBL1144605 0.74 GLB1 (0.37)
SCHEMBL2915812 0.74
SCHEMBL2916324 0.74
SCHEMBL2916789 0.73
SCHEMBL2918259 0.73

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 8 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

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 CHRNB2 1280/4885CHRNA4 1306/4885CHRNA3 1186/4885
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 CHRNB2 4572/4885CHRNA4 4695/4885CHRNA3 4724/4885
US-20050119274-A1 Indolylmaleimide derivatives MYLK2, DGKK, LCK CHRNB2 1280/4885CHRNA4 1306/4885CHRNA3 1186/4885
US-20080146578-A1 INDOLYLMALEIMIDE DERIVATIVES MYLK2, LCK, DGKK CHRNB2 1183/4885CHRNA4 1220/4885CHRNA3 1143/4885
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 CHRNB2 1224/4885CHRNA4 1672/4885CHRNA3 1451/4885

“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.