SCHEMBL5360848

SCHEMBL5360848

O=C(O)N1CCC(C(O)CN2CCC(c3cc[nH]n3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.40
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
OPRL1 P41146 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR1 P21554 3/20 0.34
CNR2 P34972 2/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB1 P08183 2/20 0.33
PRMT5 O14744 1/20 0.32
CYP3A4 P08684 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL21391903 0.86 ALDH1A1 (0.38) KDM4EALDH1A1HPGDNPSR1CNR1
SCHEMBL5462799 0.83 OPRL1 (0.36) SLC18A3OPRL1DRD2DRD4DRD3
SCHEMBL14387063 0.79 LMNA (0.48) CYP3A4
SCHEMBL5350050 0.79 CCR2 (0.47) CYP3A4
SCHEMBL14386849 0.79 CCR2 (0.43)
SCHEMBL5358737 0.78 CCR2 (0.48)
SCHEMBL14430067 0.78 CCR2 (0.48)
SCHEMBL18866160 0.78 RAB9A (0.38) ALDH1A1HPGDCYP3A4
SCHEMBL5354293 0.77 NPC1 (0.42) ALDH1A1
SCHEMBL14387009 0.77 NPC1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed

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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 SLC18A3 4056/4885KDM4E 3992/4885ALDH1A1 905/4885

“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.