SCHEMBL9962296

SCHEMBL9962296

CC(C)(C)OC(=O)N1CCCC(c2cccc(N)n2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.53
ALOX5AP P20292 4/20 0.49
FEN1 P39748 4/20 0.49
PRMT5 O14744 1/20 0.49
PARP1 P09874 1/20 0.48
USP30 Q70CQ3 2/20 0.48
HPGDS O60760 1/20 0.48
ACKR3 P25106 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43

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
SCHEMBL5352510 0.87 TRPV3 (0.51) TRPV3PRMT5
SCHEMBL31383657 0.86 TRPV3 (0.53) TRPV3ALOX5APFEN1PRMT5PARP1
SCHEMBL9962301 0.85 USP30 (0.50) TRPV3ALOX5APFEN1PRMT5PARP1
SCHEMBL23530033 0.84 TRPV3 (0.54) TRPV3ALOX5APFEN1PRMT5PARP1
SCHEMBL31383626 0.84 TRPV3 (0.52) TRPV3ALOX5APFEN1PRMT5PARP1
SCHEMBL29549796 0.84 TRPV3 (0.54) TRPV3ALOX5APFEN1PRMT5PARP1
SCHEMBL17898219 0.83 TRPV3 (0.50) TRPV3ALOX5APFEN1PRMT5PARP1
SCHEMBL31715424 0.83 HTR2A (0.46) JAK2
SCHEMBL20140687 0.81 KDM5A (0.53) TRPV3USP30HPGDS
SCHEMBL20157283 0.81 KDM5A (0.53) TRPV3USP30HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (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-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK TRPV3 3744/4885ALOX5AP 3466/4885FEN1 1144/4885

“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.