SCHEMBL5356261

SCHEMBL5356261

O=C(S)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(N5CCOCC5)cc34)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 2/20 0.38
HTR1D P28221 9/20 0.38
PRKDC P78527 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
RAD52 P43351 1/20 0.37
CASP1 P29466 3/20 0.37
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 1/20 0.37
HTR1B P28222 6/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CASP7 P55210 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL5327087 0.93 KMT2A (0.39) KMT2ACYP2D6HTR1DPRKDCKDM4E
SCHEMBL5356266 0.89 KMT2A (0.39) KMT2ACYP2D6HTR1DPRKDCKDM4E
SCHEMBL14387022 0.88 KMT2A (0.41) KMT2ACYP2D6HTR1DPRKDCCASP1
SCHEMBL5456885 0.85 CCR2 (0.46) HTR1DNPSR1
SCHEMBL14387031 0.85 CCR2 (0.50) KMT2AHTR1DMAPTHTR1B
SCHEMBL14387084 0.85 CCR2 (0.44) ALDH1A1MAPT
SCHEMBL5354890 0.85 CCR2 (0.44) ALDH1A1MAPT
SCHEMBL5353005 0.85 CCR2 (0.42)
SCHEMBL14387116 0.85 CCR2 (0.42)
SCHEMBL5351146 0.85 CCR2 (0.42)

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 KMT2A 2990/4885CYP2D6 958/4885HTR1D 804/4885

“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.