SCHEMBL2380375

SCHEMBL2380375

O=C(CN1CCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)NC1CNC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
CACNA1G O43497 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL2380933 0.82 HTT (0.41) SMN1; SMN2ALDH1A1TSHR
SCHEMBL2545925 0.80 CACNA1G (0.54) CACNA1GSIGMAR1
SCHEMBL2306003 0.78 HSD11B1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2380625 0.76 ALDH1A1 (0.41) SMN1; SMN2LMNAALDH1A1
SCHEMBL2310361 0.76 TP53 (0.57) SMN1; SMN2TP53ALDH1A1TSHRKMT2A
SCHEMBL2309701 0.75 CCR2 (0.39) SMN1; SMN2TP53CACNA1GSIGMAR1
SCHEMBL2535983 0.74 MAPT (0.44)
SCHEMBL2306028 0.74 SIGMAR1 (0.60) CACNA1GSIGMAR1
SCHEMBL2543834 0.73 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL2544041 0.73 SMN1; SMN2 (0.40) SMN1; SMN2TP53ALDH1A1TSHRCACNA1G

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 7 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
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 (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 SMN1; SMN2 756/4885TP53 4054/4885LMNA 577/4885
US-20110230459-A1 LACTAM ACETAMIDES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1D, CACNA1S SMN1; SMN2 1109/4885TP53 4656/4885LMNA 1519/4885

“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.