SCHEMBL14945155

SCHEMBL14945155

CC1Cc2ccccc2CN(C(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 1/20 0.41
KIF11 P52732 1/20 0.40
DRD4 P21917 1/20 0.39
ACE P12821 2/20 0.35
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34

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
SCHEMBL1101990 0.78 MEN1 (0.55) MEN1KMT2AHRH3KCNH2
SCHEMBL762701 0.76 MAOA (0.50)
SCHEMBL19844796 0.76 MAOA (0.50)
SCHEMBL26192019 0.72 MEN1 (0.50) MEN1KMT2AHRH3KCNH2DRD4
SCHEMBL315647 0.71 BRD4 (0.54) BRD4CREBBP
SCHEMBL13267985 0.70 NOTUM (0.39) MEN1KMT2AHRH3KCNH2
SCHEMBL13711153 0.70 NOTUM (0.39) MEN1KMT2AHRH3KCNH2
SCHEMBL1083820 0.69 MAOA (0.57) MEN1KMT2AHRH3KCNH2DRD4
SCHEMBL30561536 0.69 MAOA (0.57) MEN1KMT2AHRH3KCNH2DRD4
Methane SCHEMBL27448869 0.69 BRD4 (0.52) BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP MEN1 128/4885KMT2A 1279/4885HRH3 3418/4885

“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.