SCHEMBL4485648

SCHEMBL4485648

O=C(O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
CYP1A2 P05177 3/20 0.59
CYP2C19 P33261 3/20 0.59
ALDH1A1 P00352 2/20 0.59
CYP2C9 P11712 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NAMPT P43490 1/20 0.48
PKM P14618 1/20 0.47
P2RX7 Q99572 3/20 0.46
TP53 P04637 1/20 0.44
P2RY14 Q15391 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
MARS1 P56192 1/20 0.42

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
SCHEMBL13968596 0.78 POLB (0.64) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL4497870 0.78 POLB (0.64) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL4494006 0.77 ALDH1A1 (0.82) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL2534800 0.76 SMN1; SMN2 (0.62) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL26134434 0.74 POLB (0.59) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL4501152 0.74 POLB (0.57) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL2526216 0.74 ALDH1A1 (0.64) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL26130191 0.74 POLB (0.58) POLBCYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL28554732 0.74 MARS1 (0.61) POLBP2RY14MARS1
SCHEMBL9970678 0.73 POLB (0.57) POLBCYP1A2CYP2C19ALDH1A1CYP2C9

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 POLB 2936/4885CYP1A2 1965/4885CYP2C19 987/4885

“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.