SCHEMBL17062191

SCHEMBL17062191

Cc1cc(C(=O)OC(C)(C)C)ccc1OCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ MCHR1 Q99705 1/20 0.49
▸ CHRM3 P20309 2/20 0.47
▸ ACHE P22303 3/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ BCHE P06276 1/20 0.46

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
SCHEMBL16759564 0.84 SCN7A (0.56) DRD2DRD4CHRM3
SCHEMBL19430661 0.83 KDM4E (0.47) —
SCHEMBL20910929 0.79 SCN7A (0.54) DRD2DRD4
SCHEMBL16758978 0.78 SCN7A (0.56) DRD2DRD4CHRM3ACHECHRM2
SCHEMBL16759678 0.77 SCN7A (0.70) DRD2DRD4
SCHEMBL18263311 0.76 MGLL (0.44) —
SCHEMBL20843153 0.74 KDM1A (0.53) DRD2DRD4ACHEBCHE
SCHEMBL12814152 0.74 KDM1A (0.53) DRD2DRD4
SCHEMBL18243724 0.73 MGLL (0.47) —
SCHEMBL19764432 0.73 KDM1A (0.51) DRD2DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 — — US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 — — 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-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 DRD2 1228/4885DRD4 738/4885MCHR1 3894/4885

“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.

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