SCHEMBL2359464

SCHEMBL2359464

O=C1CN(CCN2CCC(c3ccccc3)(c3ccccc3)C2=O)CCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 2/20 0.39
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 5/20 0.36
OPRD1 P41143 5/20 0.36
OPRK1 P41145 5/20 0.36
OPRL1 P41146 5/20 0.36
P2RX7 Q99572 1/20 0.33

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
SCHEMBL2357962 0.79 DPP8 (0.43) ADRA1BOPRM1OPRD1OPRK1OPRL1
SCHEMBL2546338 0.79 ADRA1B (0.42) ADRA1BSLC6A3OPRM1OPRD1OPRK1
SCHEMBL2358297 0.73 DPP8 (0.41)
SCHEMBL2312275 0.70 ADRA1B (0.42) ADRA1BSLC6A4OPRM1OPRD1OPRK1
SCHEMBL2310052 0.70 ADRA1B (0.40) ADRA1BOPRM1OPRL1
SCHEMBL18408950 0.67 ADRA1B (0.46) ADRA1BOPRM1OPRD1OPRK1OPRL1
SCHEMBL2308976 0.67 USP2 (0.57)
SCHEMBL2314675 0.66 DRD2 (0.42) ADRA1BOPRM1OPRD1OPRL1
SCHEMBL2310569 0.65 CYP2D6 (0.46) ADRA1B
SCHEMBL2309924 0.65 ADRA1B (0.42) ADRA1BOPRM1

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 8 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
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO 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 ADRA1B 43/4885ACHE 832/4885SLC6A2 1262/4885

“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.