SCHEMBL5327735

SCHEMBL5327735

COc1ccc(C2CCN(CC(O)C3CCN(C(O)=S)CC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.54
▸ SLC18A3 Q16572 2/20 0.47
▸ OPRM1 P35372 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ CCR2 P41597 1/20 0.40

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
SCHEMBL5327786 0.88 DRD2 (0.54) DRD2SLC18A3OPRM1RAB9ACHRM4
SCHEMBL5327743 0.85 DRD2 (0.53) DRD2SLC18A3OPRM1RAB9ACHRM4
SCHEMBL14386902 0.83 KMT2A (0.53) DRD2RAB9ANPC1MEN1KMT2A
SCHEMBL5328461 0.82 DRD2 (0.47) DRD2SLC18A3OPRM1RAB9ANPC1
SCHEMBL5462617 0.82 DRD2 (0.54) DRD2SLC18A3DRD4
SCHEMBL14387010 0.81 KMT2A (0.50) DRD2RAB9ANPC1MEN1KMT2A
SCHEMBL14430076 0.81 RAB9A (0.61) DRD2RAB9ANPC1MEN1KMT2A
SCHEMBL14430084 0.81 KMT2A (0.50) DRD2RAB9ANPC1MEN1KMT2A
SCHEMBL14430083 0.80 KMT2A (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL14430081 0.80 LMNA (0.51) DRD2RAB9ANPC1MEN1KMT2A

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
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
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 — — 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 DRD2 284/4885SLC18A3 4056/4885OPRM1 513/4885

“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.

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