SCHEMBL2014767

SCHEMBL2014767

CC(C[C@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C)Oc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 2/20 0.42
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
AGTR2 P50052 1/20 0.38
PARP1 P09874 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
TACR1 P25103 3/20 0.37
DPP4 P27487 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL15279945 0.89 AGTR2 (0.42) CA1CA2CA4CA9AGTR2
SCHEMBL2017921 0.83 NR1H2 (0.46) NR1H2NR1H3CA1CA2CA4
SCHEMBL4709100 0.83 NR1H2 (0.46) NR1H2NR1H3CA1CA2CA4
SCHEMBL4709252 0.83 NR1H2 (0.46) NR1H2NR1H3CA1CA2CA4
SCHEMBL27764711 0.83 NR1H2 (0.44) NR1H2NR1H3CA1CA2CA4
SCHEMBL27786520 0.83 NR1H2 (0.45) NR1H2NR1H3CA1CA2CA4
SCHEMBL21274222 0.81 NR1H2 (0.46) NR1H2NR1H3CA1CA2CA4
SCHEMBL8114204 0.81 NR1H2 (0.50) NR1H2NR1H3CA1CA2CA4
SCHEMBL17376945 0.80 NR1H2 (0.48) NR1H2NR1H3CA1CA2CA4
SCHEMBL26914975 0.80 NR1H2 (0.46) NR1H2NR1H3CA1CA2CA4

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 NR1H2 302/4885NR1H3 382/4885CA1 2697/4885

“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.