SCHEMBL5353497

SCHEMBL5353497

O=C(C=CN1CCC(C(O)CN2CCC(c3c[nH]c4ncccc34)CC2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.52
CTSS P25774 1/20 0.47
OPRM1 P35372 3/20 0.46
OPRL1 P41146 3/20 0.44
OPRK1 P41145 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL5352889 0.88 CCR2 (0.55) CCR2
SCHEMBL5365348 0.88 CCR2 (0.46) CCR2OPRM1OPRL1OPRK1CYP3A4
SCHEMBL5357090 0.88 CCR2 (0.53) CCR2OPRM1OPRL1OPRK1CYP3A4
SCHEMBL5349010 0.87 CCR2 (0.55) CCR2OPRM1OPRL1OPRK1CYP3A4
SCHEMBL5356128 0.86 CTSS (0.45) CCR2CTSSOPRM1OPRL1OPRK1
SCHEMBL14430062 0.82 CCR2 (0.75) CCR2CTSSOPRM1OPRL1OPRK1
SCHEMBL14430056 0.82 CCR2 (0.76) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5353501 0.82 CCR2 (0.76) CCR2CYP3A4CYP2D6CYP2C19
SCHEMBL5353861 0.78 OPRL1 (0.55) CCR2OPRM1OPRL1OPRK1CYP3A4
SCHEMBL7702544 0.77 CCR2 (0.62) CCR2

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 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
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 CCR2 1/4885CTSS 2268/4885OPRM1 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.