SCHEMBL2014668

SCHEMBL2014668

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SLC6A9 P48067 2/20 0.38
CACNA1A O00555 2/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNA1C Q13936 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA4 P22748 4/20 0.37
CA9 Q16790 4/20 0.37
CHRM1 P11229 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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 0.90 KMT2A (0.40) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL2014085 0.84 KMT2A (0.38) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL2017923 0.84 KMT2A (0.38) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3495125 0.81 ABCB1 (0.39) SIGMAR1
SCHEMBL2014768 0.76 LMNA (0.35) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL3494272 0.76 OPRD1 (0.45) KMT2AMEN1CACNA1ACACNA2D1CACNB1
SCHEMBL3493659 0.76 NR1H2 (0.40) CA1CA2CA4CA9
SCHEMBL17821462 0.74 KMT2A (0.42) KMT2AMEN1SLC6A9CACNA1ACACNA2D1
SCHEMBL28442867 0.72 ALDH1A1 (0.37) ALDH1A1CA1CA2CA4CA9
SCHEMBL4899270 0.71 KMT2A (0.56) KMT2AMEN1CACNA2D1CACNB1CACNA1C

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.