SCHEMBL2014085

SCHEMBL2014085

CC(C)(C)C(c1ccccc1)N1CCN(C(=O)O)[C@@H](CC=O)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SLC6A9 P48067 4/20 0.38
CACNA1A O00555 2/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB1 Q02641 2/20 0.37
CACNA1C Q13936 1/20 0.37
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 2/20 0.34
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CCR5 P51681 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL28429419 0.86 KMT2A (0.40) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL2014668 0.84 KMT2A (0.39) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL2017923 0.83 KMT2A (0.38) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3495125 0.81 ABCB1 (0.39) LMNAGAACCR5
SCHEMBL3494272 0.75 OPRD1 (0.45) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL2014768 0.75 LMNA (0.35) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3493659 0.75 NR1H2 (0.40)
SCHEMBL17821462 0.74 KMT2A (0.42) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3493764 0.71 AGTR2 (0.49) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL18894086 0.71 AGTR2 (0.49) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D KMT2A 2053/4885MEN1 2826/4885SLC6A9 2590/4885

“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.