SCHEMBL4388189

SCHEMBL4388189

NC1(C(=O)NCc2ccccc2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.53
ERCC4 Q92889 1/20 0.53
HPGD P15428 3/20 0.51
EPHX1 P07099 2/20 0.51
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A4 P31645 1/20 0.49
MMP8 P22894 1/20 0.49
METAP2 P50579 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46

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
Hydrochloric Acid SCHEMBL7760814 0.97 HPGD (0.51) ERCC1ERCC4HPGDEPHX1KMT2A
SCHEMBL6621636 0.84 ATM (0.49) HPGDEPHX1KMT2ASMN1; SMN2SLC6A4
SCHEMBL8260015 0.84 ERCC1 (0.41) ERCC1ERCC4HPGDEPHX1KMT2A
SCHEMBL14273889 0.84 ALDH1A1 (0.55) HPGDKMT2ASMN1; SMN2MMP8NPC1
SCHEMBL13510888 0.82 METAP2 (0.50) HPGDKMT2ASMN1; SMN2SLC6A4MMP8
SCHEMBL10706967 0.82 EPHX2 (0.54) HPGDEPHX1KMT2AMMP8NPC1
SCHEMBL1525284 0.81 SMN1; SMN2 (0.54) ERCC1ERCC4HPGDEPHX1KMT2A
SCHEMBL1403819 0.80 EPHX2 (0.55) HPGDEPHX1KMT2AMMP8NPC1
SCHEMBL5346968 0.79 ERCC1 (0.75) ERCC1ERCC4KMT2ASMN1; SMN2SLC6A4
SCHEMBL7435493 0.79 MMP8 (0.57) ERCC1ERCC4HPGDEPHX1KMT2A

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 ERCC1 3928/4885ERCC4 4520/4885HPGD 2413/4885

“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.