SCHEMBL4609867

SCHEMBL4609867

O=C(O)N1CCC(N[C@@H](CNC2CCCC2)c2ccsc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CCR5 P51681 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 1/20 0.33
DRD3 P35462 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4597782 0.74 CYP3A4 (0.42) KDM4ETSHRDRD3CYP3A4HPGD
SCHEMBL3818914 0.73 SIGMAR1 (0.48) CYP1A2SIGMAR1CHRM2CHRM1CHRM3
SCHEMBL4597730 0.73 CTSS (0.41) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL5576515 0.72 EPHX1 (0.53) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL5576009 0.70 ALDH1A1 (0.52) KDM4EHTTRAB9A
SCHEMBL6418827 0.70 OPRK1 (0.49) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL5576532 0.69 KDM4E (0.38) KDM4ELMNACYP1A2CYP2D6SCN1A
SCHEMBL8311276 0.66 SOS1 (0.58) KDM4ECHRM2CHRM3DRD3CNR1
SCHEMBL14862414 0.66 C3AR1 (0.43) C3AR1LMNACHRM3HTT
SCHEMBL2419976 0.66 KMT2A (0.38) C3AR1CCR5CHRM3

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 C3AR1 31/4885KDM4E 3689/4885LMNA 4700/4885

“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.