SCHEMBL5331458

SCHEMBL5331458

OCC(CC1CCNCC1)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.57
ADRB2 P07550 1/20 0.57
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.49
BRD4 O60885 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CREBBP Q92793 1/20 0.49
ATM Q13315 1/20 0.49
ADRA1D P25100 3/20 0.47
CCR2 P41597 5/20 0.47
SLC6A4 P31645 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL5462117 0.92 KMT2A (0.49) HTR2CADRB2KMT2AKDM4EBRD4
SCHEMBL5327055 0.85 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5328673 0.85 KDM4E (0.51) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5328670 0.85 KDM4E (0.55) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5374774 0.82 CCR2 (0.61) HTR2CADRB2KMT2AKDM4EBRD4
SCHEMBL5365548 0.80 KDM4E (0.53) KMT2AKDM4EBRD4ALDH1A1POLB
SCHEMBL5350742 0.79 KDM4E (0.51) HTR2CADRB2KMT2AKDM4EBRD4
SCHEMBL5463070 0.78 ADRA1D (0.51) ADRA1DCCR2SLC6A4
SCHEMBL5346966 0.78 CCR2 (0.77) CCR2
SCHEMBL14386916 0.78 CCR2 (0.77) 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 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 HTR2C 1270/4885ADRB2 326/4885KMT2A 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.