SCHEMBL5328459

SCHEMBL5328459

COc1ccc(C2CCN(CC(O)C3(O)CCN(C(=O)S)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.46
▸ SIGMAR1 Q99720 2/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CCR2 P41597 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SLC18A3 Q16572 1/20 0.38
▸ DRD4 P21917 1/20 0.38

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
SCHEMBL5322032 0.91 DRD2 (0.47) DRD2SIGMAR1CHRM4CYP2D6MAPK1
SCHEMBL5328461 0.86 DRD2 (0.47) DRD2SIGMAR1CHRM4CYP2D6MAPK1
SCHEMBL5328977 0.86 HSD11B1 (0.44) DRD2SIGMAR1CHRM4HSD11B1CCR2
SCHEMBL5354122 0.86 DRD2 (0.40) DRD2CHRM4CCR2SLC18A3
SCHEMBL5327708 0.83 CHRM2 (0.43) DRD2CCR2SLC18A3DRD4
SCHEMBL5327743 0.83 DRD2 (0.53) DRD2CHRM4OPRM1HSD11B1CCR2
SCHEMBL14386847 0.81 S1PR2 (0.48) CHRM4CCR2USP2ALDH1A1CYP1A2
SCHEMBL5325497 0.81 CCR2 (0.56) CCR2ALDH1A1RAB9A
SCHEMBL14430078 0.81 CCR2 (0.56) CCR2ALDH1A1RAB9A
SCHEMBL14386899 0.80 CCR2 (0.55) CCR2ALDH1A1

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 284/4885SIGMAR1 945/4885CHRM4 3792/4885

“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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