SCHEMBL4486670

SCHEMBL4486670

COC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PTGS1 P23219 1/20 0.51
ERN1 O75460 1/20 0.50
IKBKB O14920 1/20 0.49
MAP2K4 P45985 1/20 0.48
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 2/20 0.47

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
SCHEMBL184208 0.96 KDM4E (0.61) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL184501 0.90 KDM4E (0.55) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL4500103 0.89 NOTUM (0.53) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL18172335 0.89 KDM4E (0.50) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL2952068 0.86 MEN1 (0.68) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL18172326 0.85 KDM4E (0.61) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL7816934 0.84 CA12 (0.64) SLC6A4SLC6A3ERN1CA12CA1
SCHEMBL18172331 0.83 POLB (0.47) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL4500670 0.83 KDM4E (0.46) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL16749655 0.82 CA1 (0.58) KDM4EMAPTERN1CA12CA1

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
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 KDM4E 1047/4885NPC1 2497/4885RAB9A 2928/4885

“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.