SCHEMBL4064616

SCHEMBL4064616

N[C@H]1CCCC[C@H]1Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SYK P43405 12/20 0.46
KAT2B Q92831 1/20 0.46
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIM1 P11309 2/20 0.41
CDC7 O00311 1/20 0.41
GSK3B P49841 1/20 0.41
FER P16591 2/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
LRRK2 Q5S007 2/20 0.39
CHEK2 O96017 1/20 0.39

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
SCHEMBL4064611 1.00 ALDH1A1 (0.51) ALDH1A1SYKKAT2BLMNAGAA
SCHEMBL4065551 1.00 ALDH1A1 (0.51) ALDH1A1SYKKAT2BLMNAGAA
SCHEMBL7020150 1.00 ALDH1A1 (0.51) ALDH1A1SYKKAT2BLMNAGAA
SCHEMBL4065548 1.00 ALDH1A1 (0.51) ALDH1A1SYKKAT2BLMNAGAA
SCHEMBL4064618 1.00 ALDH1A1 (0.51) ALDH1A1SYKKAT2BLMNAGAA
SCHEMBL11499914 0.96 ALDH1A1 (0.47) ALDH1A1SYKKAT2BLMNAGAA
SCHEMBL11496595 0.96 ALDH1A1 (0.47) ALDH1A1SYKKAT2BLMNAGAA
SCHEMBL30887532 0.85 ALDH1A1 (0.65) ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL5613415 0.81 SYK (0.50) ALDH1A1SYKKAT2BLMNASMN1; SMN2
SCHEMBL4437198 0.81 SYK (0.50) ALDH1A1SYKKAT2BLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 ALDH1A1 1755/4885SYK 2672/4885KAT2B 2818/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 ALDH1A1 2001/4885SYK 2803/4885KAT2B 2651/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 ALDH1A1 1755/4885SYK 2672/4885KAT2B 2818/4885

“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.