SCHEMBL7855797

SCHEMBL7855797

COc1c(C(C)(C)C)cc(C(=O)NC2(C(=O)NCc3cc(C)n(C)n3)CCCCC2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.38
CTSK P43235 1/20 0.36
CTSB P07858 5/20 0.35
CTSL P07711 5/20 0.35
CTSS P25774 4/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL7848739 0.90 HTT (0.43) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7855773 0.86 HTT (0.44) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7856659 0.85 HTT (0.44) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7857519 0.85 HTT (0.45) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7856575 0.84 EPHX2 (0.39) ALDH1A1KDM4EHPGDCTSKCTSB
SCHEMBL7855800 0.84 CTSK (0.37) CTSKCTSBCTSLCTSSCYP3A4
SCHEMBL7855709 0.81 HTT (0.47) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7856622 0.79 NPC1 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1CTSK
SCHEMBL7857584 0.79 CTSK (0.49) SMN1; SMN2LMNAHPGDUSP2TSHR
SCHEMBL7857685 0.79 BRD4 (0.38) SMN1; SMN2ALDH1A1LMNAKDM4EHPGD

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 HTT 1084/4885SMN1; SMN2 2346/4885ALDH1A1 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.