SCHEMBL10193264

SCHEMBL10193264

C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)c2c(c1)N(C)CC2)c1ccc(C(F)(F)F)[n+](O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
CYP2C9 P11712 2/20 0.38
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
IDO1 P14902 2/20 0.36
NPC1 O15118 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
ROCK2 O75116 4/20 0.35
ROCK1 Q13464 4/20 0.35
PHGDH O43175 2/20 0.34
WDR5 P61964 3/20 0.34
USP30 Q70CQ3 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 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
SCHEMBL347680 0.72 DGAT2 (0.55) DGAT2CYP2C9P2RX3ALDH1A1LMNA
SCHEMBL16504277 0.71 CYP2C9 (0.41) DGAT2CYP2C9P2RX3ALDH1A1LMNA
SCHEMBL19773485 0.70 DGAT2 (0.44) DGAT2CYP2C9P2RX3ALDH1A1LMNA
SCHEMBL21092146 0.69 P2RX3 (0.54) DGAT2CYP2C9P2RX3ALDH1A1LMNA
SCHEMBL25780851 0.68 KMT2A (0.65) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL21945920 0.68 KMT2A (0.65) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL13365589 0.67 CYP2C9 (0.38) DGAT2CYP2C9P2RX3ALDH1A1LMNA
SCHEMBL13092854 0.67 P2RX3 (0.59) DGAT2CYP2C9P2RX3ALDH1A1LMNA
SCHEMBL452073 0.66 CYP2C9 (0.37) DGAT2KMT2AMEN1HTTCYP2C9
SCHEMBL13092755 0.64 CYP2C9 (0.49) DGAT2CYP2C9P2RX3ALDH1A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 DGAT2 3948/4885KMT2A 4191/4885MEN1 4860/4885

“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.