SCHEMBL14944848

SCHEMBL14944848

CCOc1noc(C)c1C[C@@H](C)N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.50
GRIA3 P42263 2/20 0.50
GRIA2 P42262 1/20 0.50
GRIA4 P48058 1/20 0.50
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL14478187 1.00 GRIA1 (0.50) GRIA1GRIA3GRIA2GRIA4HTR2A
SCHEMBL14945013 0.80 GRIA1 (0.78) GRIA1GRIA3GRIA2GRIA4
SCHEMBL13957545 0.80 GRIA1 (0.78) GRIA1GRIA3GRIA2GRIA4
SCHEMBL7374475 0.70 HTR2A (0.41) GRIA1GRIA3GRIA2GRIA4HTR2A
SCHEMBL17000229 0.68 GRIA1 (0.41) GRIA1GRIA3GRIA2GRIA4
SCHEMBL19280767 0.67 SMN1; SMN2 (0.40) HTR2AHTR2CCA12CA1CA2
SCHEMBL4933992 0.67 HTR2A (0.39) HTR2AHTR2CCA12CA1CA2
SCHEMBL2036596 0.67 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4
SCHEMBL2036595 0.67 GRIA1 (1.00) GRIA1GRIA3GRIA2GRIA4
SCHEMBL7167715 0.66 GRIA1 (0.71) GRIA1GRIA3GRIA2GRIA4

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-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 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 (2 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP GRIA1 1644/4885GRIA3 1910/4885GRIA2 1898/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP GRIA1 1697/4885GRIA3 1919/4885GRIA2 1925/4885

“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.