SCHEMBL2311285

SCHEMBL2311285

O=C(O)CN1CCCC(c2ccccc2)(c2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
APEX1 P27695 1/20 0.40
HSD11B1 P28845 2/20 0.40
EGLN1 Q9GZT9 1/20 0.39
AKR1C1 Q04828 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 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
SCHEMBL2310569 0.91 CYP2D6 (0.46) ALDH1A1KMT2ACYP2D6CYP2C19POLB
SCHEMBL2310822 0.87 HSD11B1 (0.44) ALDH1A1KMT2ACYP2D6CYP2C19MEN1
SCHEMBL2306405 0.84 MMP1 (0.48) ALDH1A1KMT2ACYP2D6CYP2C19MEN1
SCHEMBL2308063 0.83 OPRM1 (0.47) ALDH1A1KMT2AMEN1HTT
SCHEMBL2311448 0.83 ALDH1A1 (0.47) ALDH1A1KMT2ACYP2C19MEN1CYP2C9
SCHEMBL2381415 0.83 NPC1L1 (0.45) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL2381146 0.82 CHRM2 (0.45) KMT2APOLBHTT
SCHEMBL2310329 0.81 OPRM1 (0.57) ALDH1A1KMT2AMEN1HTT
SCHEMBL2309188 0.81 OPRM1 (0.51) KMT2AMEN1HTTHSD11B1
SCHEMBL2310630 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HTT

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-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US disclosed
CN-102239146-A Novel compounds as calcium channel blockers ABBOTT LAB 2011-11-09 CN disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 WO disclosed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 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 (2 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 ALDH1A1 1622/4885KMT2A 3931/4885CYP2D6 3157/4885
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S ALDH1A1 575/4885KMT2A 3673/4885CYP2D6 2405/4885

“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.