SCHEMBL5449838

SCHEMBL5449838

CCOC(=O)C(CN1CCC(c2ccc(OC)cc2)CC1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.48
▸ GRIN2B Q13224 1/20 0.47
▸ MMP1 P03956 2/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ MMP3 P08254 2/20 0.46
▸ MMP7 P09237 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ MMP8 P22894 2/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43

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
SCHEMBL8316392 0.86 SMN1; SMN2 (0.61) CHRM4GRIN2BMMP1MMP2MMP3
SCHEMBL5463382 0.84 ALDH1A1 (0.48) MMP1MMP2MMP3MMP7MMP9
SCHEMBL5322836 0.81 GRIN2B (0.48) CHRM4GRIN2BMMP1MMP2MMP3
SCHEMBL5323533 0.81 DRD2 (0.49) RAB9AOPRM1ALDH1A1LMNA
SCHEMBL2524171 0.79 SMN1; SMN2 (0.57) GRIN2BRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6750128 0.77 SMN1; SMN2 (0.53) CHRM4GRIN2BRAB9ASMN1; SMN2NPC1
SCHEMBL7503285 0.76 SMN1; SMN2 (0.62) CHRM4GRIN2BRAB9ASMN1; SMN2NPC1
SCHEMBL14922380 0.76 SMN1; SMN2 (0.56) CHRM4GRIN2BRAB9ASMN1; SMN2NPC1
SCHEMBL2527608 0.76 SMN1; SMN2 (0.56) GRIN2BRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4035554 0.76 SMN1; SMN2 (0.72) CHRM4GRIN2BRAB9ASMN1; SMN2NPC1

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 4 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 disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 — — US disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 — — US disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 — — US 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 CHRM4 3792/4885GRIN2B 1652/4885MMP1 1575/4885

“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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