SCHEMBL4396673

SCHEMBL4396673

CC(C)(C)c1cc(C(=O)NC2(C(=O)Nc3ccccn3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
FLT3 P36888 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
PKM P14618 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL7848737 0.86 FPR2 (0.47) FPR2ALDH1A1HTTNPC1RAB9A
SCHEMBL3894083 0.84 NPC1 (0.60) ALDH1A1HTTNPC1RAB9AKMT2A
SCHEMBL7859139 0.78 FAAH (0.52) ALDH1A1GAALMNANPSR1
SCHEMBL13636839 0.76 FPR2 (0.46) FPR2ALDH1A1HTTNPC1RAB9A
SCHEMBL4394175 0.74 LMNA (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL4395811 0.72 PSMD14 (0.38) GAALMNA
SCHEMBL4391130 0.72 LMNA (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL7848748 0.71 CTSK (0.52) RAB9ASMN1; SMN2LMNA
SCHEMBL3891472 0.70 GLA (0.50) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL7858925 0.70 GNRHR (0.38) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I FPR2 2622/4885ALDH1A1 4034/4885HTT 1084/4885

“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.