SCHEMBL7856563

SCHEMBL7856563

COc1c(C(C)(C)C)cc(C(=O)NC2(C(=O)N3CCN(c4ccccc4)CC3)CCCCC2)cc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RBP4 P02753 1/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
TNFRSF1A P19438 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
FAAH O00519 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL7858979 0.87 MEN1 (0.49) TSHRALDH1A1MEN1KMT2ACTSS
SCHEMBL7859100 0.86 MAOB (0.46) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL7848783 0.86 CTSB (0.42) ALDH1A1MEN1KMT2ACTSLCTSB
SCHEMBL7858975 0.85 CTDSP1 (0.46) LMNAALDH1A1MEN1KMT2ACTSL
SCHEMBL4400722 0.79 LPAR1 (0.42) TNFRSF1A
SCHEMBL4389391 0.78 FAAH (0.52) ALDH1A1CTSLTNFRSF1ACYP3A4CYP2C19
SCHEMBL4081515 0.77 LMNA (0.61) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL7857584 0.76 CTSK (0.49) LMNATSHRCTSLCTSBCTSS
SCHEMBL4447544 0.76 LMNA (0.72) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL7856619 0.75 CTSK (0.39) CTSLCTSBCTSSTNFRSF1A

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 3 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
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 LMNA 1368/4885TSHR 2098/4885ALDH1A1 4034/4885

“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.