SCHEMBL2536846

SCHEMBL2536846

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)NC(c1ccccc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMYD3 Q9H7B4 1/20 0.39
RIPK1 Q13546 1/20 0.38

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
SCHEMBL2538790 0.85 ALDH1A1 (0.54) ALDH1A1
SCHEMBL2535979 0.79 MEN1 (0.39) ALDH1A1
SCHEMBL2311801 0.78 NPSR1 (0.44) ALDH1A1
SCHEMBL2313205 0.77 EPHX2 (0.50)
SCHEMBL2535983 0.76 MAPT (0.44)
SCHEMBL2310687 0.76 NPY2R (0.39) ALDH1A1
SCHEMBL2310569 0.75 CYP2D6 (0.46) ALDH1A1
SCHEMBL2543025 0.75 HPGD (0.53) ALDH1A1
SCHEMBL2309164 0.73 TSHR (0.59) GPR139ALDH1A1
SCHEMBL2307184 0.73 POLB (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D GPR139 251/4885ALDH1A1 1622/4885SMYD3 4123/4885

“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.