SCHEMBL2309710

SCHEMBL2309710

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CC2(CCNCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.41
HDAC1 Q13547 1/20 0.41
USP2 O75604 2/20 0.40
CYP2D6 P10635 2/20 0.40
ALOX15 P16050 1/20 0.40
HSD11B1 P28845 3/20 0.40
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 1/20 0.35
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.34
GPR183 P32249 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 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
SCHEMBL2380625 0.90 ALDH1A1 (0.41) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL2380341 0.83 ALDH1A1 (0.40) HSD11B1ALDH1A1
SCHEMBL2380347 0.82 CYP3A4 (0.46) USP2CYP2D6ALOX15HSD11B1ALDH1A1
SCHEMBL2309716 0.81 CYP2D6 (0.46) USP2CYP2D6ALDH1A1CYP3A4CYP2C19
SCHEMBL2315586 0.81 OPRM1 (0.45) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL2310708 0.78 GPR183 (0.49) USP2CYP2D6ALDH1A1CYP3A4CYP2C19
SCHEMBL2381294 0.78 L3MBTL1 (0.48) HSD11B1ALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2379745 0.77 NPC1L1 (0.46)
SCHEMBL2311734 0.77 OPRM1 (0.53) HSD11B1SMN1; SMN2
SCHEMBL2309749 0.77 OPRM1 (0.53) HSD11B1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011115813-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 WO claimed
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 US claimed
US-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US 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 HDAC2 1635/4885HDAC1 1048/4885USP2 3774/4885
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S HDAC2 1189/4885HDAC1 305/4885USP2 3421/4885

“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.