SCHEMBL5331430

SCHEMBL5331430

N=C(NC(=O)c1cc(F)cc(F)c1)n1cccn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 6/20 0.40
NOS1 P29475 1/20 0.38
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38
PDE4B Q07343 5/20 0.36
GRM5 P41594 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL16572100 0.81 RAB9A (0.44) NOS1F2PLAUKLKB1ELANE
Hydrochloric Acid SCHEMBL6353620 0.78 NOS1 (0.41) NOS1F2PLAUKLKB1ELANE
SCHEMBL27688017 0.77 NPC1 (0.50) ELANEPDE4BNPC1RAB9A
SCHEMBL5947050 0.77 F2 (0.64) F2PLAUKLKB1ELANENPC1
SCHEMBL8610230 0.73 NOS1 (0.48) NOS1F2PLAUKLKB1ELANE
Hydrochloric Acid SCHEMBL6817134 0.72 NOS1 (0.47) NOS1F2PLAUKLKB1ELANE
SCHEMBL28791532 0.72 NOS1 (0.57) NOS1F2PLAUKLKB1ELANE
SCHEMBL19840582 0.72 NOS1 (0.47) NOS1F2PLAUKLKB1ELANE
SCHEMBL27687998 0.71 JAK2 (0.49) F2PLAUKLKB1ELANEPDE4B
SCHEMBL20591975 0.69 NOS1 (0.44) NOS1F2PLAUKLKB1ELANE

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 7 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
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
EP-1802602-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-04 EP disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 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 (2 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 KAT6A 3897/4885NOS1 1760/4885F2 2967/4885
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists CCR2, CCR1, CCR5 KAT6A 3769/4885NOS1 1826/4885F2 2033/4885

“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.