SCHEMBL2014768

SCHEMBL2014768

CC(C[C@H]1CN(C(c2ccccc2)C(C)(C)C)CCN1C(=O)O)Oc1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SSTR1 P30872 2/20 0.34
SSTR4 P31391 2/20 0.34
CACNA1A O00555 2/20 0.33
CACNA2D1 P54289 2/20 0.33
CACNB1 Q02641 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CACNA1C Q13936 1/20 0.32
SLC6A9 P48067 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
NOD2 Q9HC29 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2017923 0.81 KMT2A (0.38) CACNA1ACACNA2D1CACNB1CACNA1CSLC6A9
SCHEMBL15279945 0.79 AGTR2 (0.42)
SCHEMBL28429419 0.78 KMT2A (0.40) LMNACACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL2014668 0.76 KMT2A (0.39) CACNA1ACACNA2D1CACNB1CACNA1CSLC6A9
SCHEMBL2014085 0.75 KMT2A (0.38) LMNACACNA1ACACNA2D1CACNB1CACNA1C
SCHEMBL2014767 0.73 NR1H2 (0.42)
SCHEMBL3495125 0.72 ABCB1 (0.39) LMNATSHRNPSR1
SCHEMBL3494272 0.69 OPRD1 (0.45) LMNATSHRCACNA1ACACNA2D1CACNB1
SCHEMBL17821462 0.66 KMT2A (0.42) LMNATSHRCACNA1ACACNA2D1CACNB1
SCHEMBL4899270 0.63 KMT2A (0.56) LMNACACNA2D1CACNB1CACNA1CMEN1

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 LMNA 1849/4885TSHR 219/4885SSTR1 135/4885

“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.