SCHEMBL7844706

SCHEMBL7844706

CN1CCC(C(=O)NCc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 2/20 0.51
EPHX2 P34913 1/20 0.49
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL15317638 0.86 HDAC6 (0.63) ALDH1A1SMN1; SMN2MAPK1EPHX2HDAC6
SCHEMBL12993901 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRCYP3A4LMNA
SCHEMBL8372164 0.85 MEN1 (0.61) ALDH1A1SMN1; SMN2NPSR1TSHRCYP3A4
SCHEMBL25735895 0.85 HDAC6 (0.66) ALDH1A1SMN1; SMN2MAPK1EPHX2HDAC6
SCHEMBL13745563 0.83 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2NPSR1TSHRCYP3A4
SCHEMBL13745754 0.83 ALDH1A1 (0.62) ALDH1A1EPHX2
SCHEMBL13746186 0.83 NPSR1 (0.72) ALDH1A1NPSR1EPHX2TSHRTDP1
SCHEMBL15317639 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1EPHX2LMNA
SCHEMBL26154399 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPK1EPHX2HDAC6
SCHEMBL13746194 0.81 POLB (0.62) ALDH1A1NPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 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-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK ALDH1A1 4307/4885SMN1; SMN2 2568/4885MAPK1 825/4885

“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.