SCHEMBL5450089

SCHEMBL5450089

OC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(CCCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.63
ADRA1D P25100 4/20 0.52
KMT2A Q03164 1/20 0.52
SLC2A1 P11166 1/20 0.51

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
SCHEMBL5448997 0.86 KMT2A (0.56) ADRA1DKMT2A
SCHEMBL5454840 0.82 CCR2 (0.60) CCR2ADRA1DSLC2A1
SCHEMBL5359654 0.80 KMT2A (0.62) ADRA1DKMT2A
SCHEMBL14386908 0.79 CCR2 (0.74) CCR2
SCHEMBL5352889 0.78 CCR2 (0.55) CCR2KMT2ASLC2A1
SCHEMBL5352891 0.78 CCR2 (0.75) CCR2SLC2A1
SCHEMBL14387004 0.78 CCR2 (0.75) CCR2SLC2A1
SCHEMBL5326779 0.77 KMT2A (0.65) ADRA1DKMT2A
SCHEMBL5457649 0.76 KMT2A (0.64) ADRA1DKMT2A
Hydrochloric Acid SCHEMBL9032172 0.76 ADRA1D (0.74) ADRA1D

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed

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 1/4885ADRA1D 330/4885KMT2A 2990/4885

“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.