SCHEMBL5359654

SCHEMBL5359654

OC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
OPRM1 P35372 1/20 0.60
OPRK1 P41145 1/20 0.60
OPRL1 P41146 1/20 0.60
CHRM4 P08173 1/20 0.58
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ADRA1D P25100 4/20 0.52
HTR2A P28223 3/20 0.51
HTR7 P34969 3/20 0.51
DRD2 P14416 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
SCHEMBL9032088 0.88 OPRM1 (0.75) KMT2AOPRM1OPRK1OPRL1CHRM4
SCHEMBL5326744 0.86 KMT2A (0.61) KMT2ACHRM4ADRA1DHTR2AHTR7
SCHEMBL5323484 0.86 KMT2A (0.61) KMT2ACHRM4ADRA1DHTR2AHTR7
SCHEMBL5326779 0.86 KMT2A (0.65) KMT2AADRA1DHTR2AHTR7SLC6A4
SCHEMBL5457649 0.85 KMT2A (0.64) KMT2AADRA1DHTR2AHTR7DRD2
SCHEMBL5326741 0.83 KMT2A (0.60) KMT2ACHRM4ADRA1DHTR2AHTR7
SCHEMBL7943390 0.81 OPRM1 (0.66) OPRM1OPRK1OPRL1CHRM4HDAC3
SCHEMBL5450089 0.80 CCR2 (0.63) KMT2AADRA1D
SCHEMBL5448997 0.80 KMT2A (0.56) KMT2AADRA1DHTR2AHTR7DRD2
SCHEMBL10784030 0.79 KMT2A (0.72) KMT2AADRA1DHTR2AHTR7DRD2

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 5 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
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 KMT2A 2990/4885OPRM1 513/4885OPRK1 167/4885

“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.