SCHEMBL7848739

SCHEMBL7848739

Cc1cc(CNC(=O)C2(NC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CCCCC2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
CTSB P07858 7/20 0.39
CTSL P07711 7/20 0.39
CTSS P25774 5/20 0.39
CTSK P43235 2/20 0.38
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 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
SCHEMBL7857519 0.95 HTT (0.45) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7855797 0.90 HTT (0.41) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7855773 0.89 HTT (0.44) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7856659 0.88 HTT (0.44) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL4389392 0.83 CTSK (0.39) CTSBCTSLCTSSCTSKCYP3A4
SCHEMBL7848736 0.83 EPHX2 (0.41) ALDH1A1KDM4EHPGDCTSBCTSL
SCHEMBL7855709 0.83 HTT (0.47) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL8372840 0.80 HTT (0.44) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7856545 0.79 CTSL (0.40) CTSBCTSLCTSSCTSKROCK2
SCHEMBL7848748 0.78 CTSK (0.52) SMN1; SMN2LMNAUSP2TSHRCTSB

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.