SCHEMBL4598550

SCHEMBL4598550

CCOC(=O)c1ccc(C2CCCCC2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
CASP3 P42574 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
OPRK1 P41145 2/20 0.45
CSNK1D P48730 1/20 0.45
LMNA P02545 1/20 0.43
MDM2 Q00987 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4598327 0.86 NPC1 (0.46) NPC1CASP3RAB9AATMSENP8
SCHEMBL26984376 0.86 CSNK1D (0.45) NPC1CASP3RAB9AATMSENP8
SCHEMBL30830184 0.86 CSNK1D (0.45) NPC1CASP3RAB9AATMSENP8
SCHEMBL27115794 0.82 NPC1 (0.36) NPC1CASP3RAB9AATMSENP8
SCHEMBL9869096 0.80 KDM4E (0.46) NPC1CASP3RAB9AATMSENP8
SCHEMBL4153908 0.80 NNMT (0.47) KDM4EKMT2A
SCHEMBL13544720 0.79 KDM4E (0.45) NPC1CASP3RAB9AATMSENP8
SCHEMBL31325007 0.79 KDM4E (0.45) NPC1CASP3RAB9AATMSENP8
SCHEMBL31467069 0.79 CYP1A2 (0.54) KDM4EALDH1A1CSNK1DLMNAMDM2
SCHEMBL26984242 0.79 CYP1A2 (0.54) KDM4EALDH1A1CSNK1DLMNAMDM2

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 NPC1 473/4885CASP3 2441/4885RAB9A 2707/4885

“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.