SCHEMBL5356266

SCHEMBL5356266

OC(=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 3/20 0.39
CYP2D6 P10635 3/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
PRKDC P78527 1/20 0.38
CASP1 P29466 4/20 0.37
CYP2C9 P11712 2/20 0.37
KDM4E B2RXH2 7/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 6/20 0.36
CASP7 P55210 3/20 0.36
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RAD52 P43351 1/20 0.36
HTR1D P28221 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
THPO P40225 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 0.92 KMT2A (0.39) KMT2ACYP2D6OPRM1OPRK1OPRL1
SCHEMBL5356261 0.89 KMT2A (0.39) KMT2ACYP2D6OPRM1OPRK1OPRL1
SCHEMBL14387022 0.88 KMT2A (0.41) KMT2ACYP2D6OPRM1OPRK1OPRL1
SCHEMBL14430112 0.87 HTR1D (0.41) KMT2AOPRM1OPRK1OPRL1PRKDC
SCHEMBL14387030 0.87 KDM4E (0.37) KMT2ACYP2D6OPRM1OPRK1OPRL1
SCHEMBL5358772 0.82 KMT2A (0.58) KMT2AKDM4EALDH1A1HSD11B1
SCHEMBL14387116 0.82 CCR2 (0.42)
SCHEMBL14387084 0.82 CCR2 (0.44) MAPTALDH1A1NPC1LMNARAB9A
SCHEMBL14387031 0.82 CCR2 (0.50) KMT2AMAPTHTR1DMEN1LMNA
SCHEMBL5353005 0.82 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 958/4885OPRM1 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.