SCHEMBL31370531

SCHEMBL31370531

Cn1ccc2cccc(CCN)c21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.42
TAAR1 Q96RJ0 8/20 0.41
HTR2A P28223 2/20 0.41
HRH1 P35367 1/20 0.36
CCNE2 O96020 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
OXER1 Q8TDS5 1/20 0.35
PRKCI P41743 1/20 0.34
HMGB1 P09429 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
SCHEMBL3132206 0.85 CMA1 (0.44) CMA1HTR2ACCNE2CDK4CCND1
SCHEMBL10264882 0.84 CMA1 (0.43) CMA1CCNE2CDK4CCND1CCNE1
SCHEMBL11005480 0.79 CMA1 (0.48) CMA1CCNE2CDK4CCND1CCNE1
SCHEMBL19509539 0.79 CMA1 (0.46) CMA1
SCHEMBL3279187 0.78 CMA1 (0.44) CMA1HTR2ACCNE2CDK4CCND1
SCHEMBL689243 0.78 CMA1 (0.47) CMA1CCNE2CDK4CCND1CCNE1
SCHEMBL3670913 0.77 CMA1 (0.60) CMA1CCNE2CDK4CCND1CCNE1
SCHEMBL4404344 0.75 CMA1 (0.42) CMA1CCNE2CDK4CCND1CCNE1
SCHEMBL1251799 0.75 IFNAR1 (0.45) CMA1HTR2ACCNE2CDK4CCND1
SCHEMBL3143493 0.75 CMA1 (0.45) CMA1CCNE2CDK4CCND1CCNE1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CMA1 3417/4885TAAR1 2975/4885HTR2A 2719/4885

“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.