SCHEMBL346162

SCHEMBL346162

CC(C)(C)N(CCC1CCN(c2ccc(Br)cc2)CC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
NPY5R Q15761 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
USP2 O75604 1/20 0.39
AKR1C3 P42330 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
RORC P51449 1/20 0.37
ACHE P22303 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL2384977 0.88 CHRM4 (0.43) CHRM4USP2MAPTALDH1A1RORC
SCHEMBL345006 0.84 CHRM4 (0.44) CHRM4DRD2DRD4MAPTALDH1A1
SCHEMBL1353798 0.76 GFER (0.43) CHRM4USP2MAPTALDH1A1RORC
SCHEMBL7914429 0.75 SLC6A2 (0.48) DRD2DRD4NPY5RSLC6A2SLC6A4
SCHEMBL3644097 0.74 NOTUM (0.51) CHRM4DRD2DRD4SLC6A2SLC6A4
SCHEMBL345540 0.74 CHRM4 (0.51) CHRM4DRD2DRD4
SCHEMBL785865 0.73 ITGB3 (0.44) ACHE
SCHEMBL24319216 0.73 SLC6A2 (0.47) DRD2DRD4SLC6A2SLC6A4USP2
SCHEMBL15254834 0.73 AAK1 (0.42) CHRM4
SCHEMBL2046676 0.73 SLC6A2 (0.49) DRD2DRD4SLC6A2SLC6A4USP2

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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A CHRM4 1210/4885DRD2 1430/4885DRD4 1133/4885

“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.