SCHEMBL4498016

SCHEMBL4498016

CC(CN1CCN(c2ncccn2)CC1)NC(=O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGDR2 Q9Y5Y4 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL9998826 1.00 MEN1 (0.52) MEN1MAPTKMT2ASMN1; SMN2PTGDR2
SCHEMBL9998261 0.95 MAPT (0.49) MAPTKMT2A
SCHEMBL4765488 0.84 KMT2A (0.52) MEN1MAPTKMT2ASMN1; SMN2PTGDR2
SCHEMBL4724944 0.84 KMT2A (0.52) MEN1MAPTKMT2ASMN1; SMN2PTGDR2
SCHEMBL4721901 0.78 KMT2A (0.49) MEN1MAPTKMT2ASMN1; SMN2PTGDR2
SCHEMBL4791983 0.74 ALDH1A1 (0.54) MAPTALDH1A1
SCHEMBL9998442 0.73 NR4A2 (0.54) KDM4EHPGDCYP2C19
SCHEMBL9998326 0.72 KDM4E (0.48) KDM4EALDH1A1HPGD
SCHEMBL12608906 0.71 PTGDR2 (0.81) MEN1MAPTKMT2ASMN1; SMN2PTGDR2
Fentiazac SCHEMBL16196751 0.70 PTGDR2 (1.00) MEN1MAPTKMT2ASMN1; SMN2PTGDR2

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
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
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 MEN1 4495/4885MAPT 4669/4885KMT2A 1216/4885

“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.