SCHEMBL5327743

SCHEMBL5327743

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.53
▸ CHRM4 P08173 1/20 0.46
▸ HSD11B1 P28845 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CCR2 P41597 1/20 0.43
▸ SLC18A3 Q16572 2/20 0.43
▸ FAAH O00519 1/20 0.41
▸ FASN P49327 1/20 0.41
▸ QDPR P09417 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ DRD4 P21917 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 0.90 DRD2 (0.54) DRD2CHRM4HSD11B1OPRM1ALDH1A1
SCHEMBL5327735 0.85 DRD2 (0.54) DRD2CHRM4HSD11B1OPRM1ALDH1A1
SCHEMBL5328459 0.83 DRD2 (0.46) DRD2CHRM4HSD11B1OPRM1ALDH1A1
SCHEMBL5462617 0.81 DRD2 (0.54) DRD2SLC18A3DRD4
SCHEMBL14430065 0.79 MAPT (0.48) DRD2CHRM4CCR2MAPT
SCHEMBL14386492 0.79 CCR2 (0.59) ALDH1A1RAB9ACCR2MAPT
SCHEMBL14430057 0.79 MAPT (0.55) CHRM4LMNARAB9ACCR2MAPT
SCHEMBL5323644 0.79 CCR2 (0.59) ALDH1A1RAB9ACCR2MAPT
SCHEMBL14386902 0.78 KMT2A (0.53) DRD2ALDH1A1LMNARAB9AMAPT
SCHEMBL5326776 0.78 CCR2 (0.59) ALDH1A1CCR2MAPT

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 284/4885CHRM4 3792/4885HSD11B1 1395/4885

“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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