SCHEMBL5357030

SCHEMBL5357030

OC(CN1CCC(c2c[nH]c3ccccc23)CC1)C1(O)CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
HTR2C P28335 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRA1D P25100 4/20 0.52
SLC6A4 P31645 1/20 0.50
HTR2A P28223 3/20 0.48
HTR7 P34969 3/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL5353346 0.86 KMT2A (0.58) KMT2AADRA1DSLC6A4HTR2AHTR7
SCHEMBL5358772 0.86 KMT2A (0.58) KMT2AADRA1DSLC6A4HTR2AHTR7
SCHEMBL5358767 0.85 KMT2A (0.57) KMT2AADRA1DSLC6A4HTR2AHTR7
SCHEMBL5326779 0.81 KMT2A (0.65) KMT2AHTR2CADRB2ADRA1DSLC6A4
SCHEMBL14387022 0.81 KMT2A (0.41) KMT2ASLC6A4
SCHEMBL5355885 0.80 KMT2A (0.51) KMT2AADRA1DHTR2AHTR7DRD2
SCHEMBL10784030 0.79 KMT2A (0.72) KMT2AADRA1DSLC6A4HTR2AHTR7
SCHEMBL5347629 0.78 CCR2 (0.56)
SCHEMBL14387103 0.78 CCR2 (0.65)
SCHEMBL14387002 0.78 CCR2 (0.56)

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 2990/4885HTR2C 1270/4885ADRB2 326/4885

“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.