SCHEMBL4598068

SCHEMBL4598068

O=C(NC1CCCCC1)c1ccc(CBr)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
RAB9A P51151 6/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
HPGD P15428 3/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 1/20 0.57
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL126657 0.86 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL520877 0.86 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL28928584 0.86 NPC1 (0.82) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL7443737 0.85 NPC1 (0.66) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL123652 0.84 NPC1 (0.79) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL506708 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL506927 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL22817192 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL13766441 0.84 NPC1 (0.69) NPC1RAB9ASMN1; SMN2HPGDCYP1A2
SCHEMBL506714 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101309690-A Chemokine receptor binding compounds ANORMED INC (CA) 2008-11-19 CN disclosed
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 473/4885RAB9A 2707/4885SMN1; SMN2 4729/4885

“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.