SCHEMBL5354293

SCHEMBL5354293

Cc1cccc(C=CC(=O)N2CCC(C(O)CN3CCC(c4cc[nH]n4)CC3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CCR2 P41597 11/20 0.41
BCHE P06276 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR183 P32249 1/20 0.38
C3AR1 Q16581 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL14387009 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2CCR2BCHE
SCHEMBL5350050 0.85 CCR2 (0.47) CCR2
SCHEMBL14387055 0.85 CCR2 (0.47) CCR2
SCHEMBL14430067 0.84 CCR2 (0.48) CCR2
SCHEMBL5358737 0.84 CCR2 (0.48) CCR2
SCHEMBL5327780 0.83 CCR2 (0.57) NPC1RAB9ASMN1; SMN2CCR2ALDH1A1
SCHEMBL14387061 0.83 CCR2 (0.57) NPC1RAB9ASMN1; SMN2CCR2ALDH1A1
SCHEMBL5350035 0.81 CCR2 (0.61) CCR2
SCHEMBL14386891 0.81 CCR2 (0.61) CCR2
SCHEMBL5349566 0.80 TP53 (0.65) LMNATP53THRBPOLB

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 3 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

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 NPC1 677/4885RAB9A 3799/4885SMN1; SMN2 3304/4885

“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.