SCHEMBL2380341

SCHEMBL2380341

O=C(CN1CCCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
HSD11B1 P28845 5/20 0.38
NPC1L1 Q9UHC9 2/20 0.38
LMNA P02545 1/20 0.38
PLA2G7 Q13093 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36

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 0.93 ALDH1A1 (0.41) ALDH1A1CHRM2CHRM3HSD11B1NPC1L1
SCHEMBL2381415 0.88 NPC1L1 (0.45) ALDH1A1CHRM2CHRM3NPC1L1LMNA
SCHEMBL2311931 0.84 OPRM1 (0.42) ALDH1A1CHRM2CHRM3MEN1KMT2A
SCHEMBL2309710 0.83 HDAC2 (0.41) ALDH1A1HSD11B1
SCHEMBL2310822 0.82 HSD11B1 (0.44) ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL2312090 0.81 CACNA2D1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL2381294 0.81 L3MBTL1 (0.48) ALDH1A1HSD11B1NPC1L1LMNAL3MBTL1
SCHEMBL2311074 0.80 RAB9A (0.46) ALDH1A1NPC1L1CHRM4
SCHEMBL2307819 0.80 OPRM1 (0.51) CHRM2CHRM3HSD11B1LMNAMEN1
SCHEMBL2306085 0.80 OPRM1 (0.51) CHRM2CHRM3HSD11B1LMNAMEN1

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-8815869-B2 Lactam acetamides as calcium channel blockers ABBVIE INC. (US) 2014-08-26 US 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-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-09-22 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-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S ALDH1A1 575/4885CHRM2 292/4885CHRM3 603/4885

“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.