SCHEMBL5367121

SCHEMBL5367121

[N-]=[N+]=CC(=O)C1CCN(C=CC(=O)c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 3/20 0.35
USP2 O75604 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 2/20 0.34
ALOX12 P18054 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
HTR1F P30939 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5360028 0.78 NPC1 (0.36) ALDH1A1NPC1USP2MAPTMAPK1
SCHEMBL14430175 0.74 CCR2 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL5367123 0.74 CCR2 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL5356356 0.66 CCR2 (0.49) ALDH1A1USP2MAPTALOX12POLB
SCHEMBL1742470 0.59 CES2 (0.44) ALDH1A1NPC1MAPTMAPK1RAB9A
SCHEMBL15274607 0.59 ALDH1A1 (0.47) ALDH1A1NPC1MAPTLMNARAB9A
SCHEMBL21805094 0.58 PLG (0.39) NPC1LMNARAB9AMEN1KMT2A
SCHEMBL2285570 0.57 CES2 (0.48) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL16095403 0.57
SCHEMBL26093034 0.57 ALDH1A1 (0.32) ALDH1A1NPC1USP2MEN1KMT2A

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 2 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
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 ALDH1A1 905/4885NPC1 677/4885USP2 3962/4885

“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.