SCHEMBL10192240

SCHEMBL10192240

Cc1ccc(N2CC(c3ccccc3Cl)c3ccc(C(=O)N[C@H](C)c4ccc(C(F)(F)F)[n+]([O-])c4)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 7/20 0.52
CYP2C9 P11712 2/20 0.41
P2RX3 P56373 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
BRD4 O60885 3/20 0.36
BRD2 P25440 3/20 0.36
BRD3 Q15059 3/20 0.36
THRB P10828 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 4/20 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
SCHEMBL348128 0.77 DGAT2 (0.66) DGAT2CYP2C9P2RX3
SCHEMBL20166395 0.68 DGAT2 (1.00) DGAT2
SCHEMBL21523230 0.68 DGAT2 (1.00) DGAT2
SCHEMBL21048459 0.65 CYP2C9 (0.48) DGAT2CYP2C9P2RX3MEN1KMT2A
SCHEMBL452072 0.65 CYP2C9 (0.48) DGAT2CYP2C9P2RX3MEN1KMT2A
SCHEMBL3177746 0.65 P2RX3 (0.59) DGAT2CYP2C9P2RX3PPARG
SCHEMBL19773478 0.61 DGAT2 (0.88) DGAT2CYP2C9PPARG
SCHEMBL13095501 0.61 P2RX3 (0.64) DGAT2CYP2C9P2RX3
SCHEMBL13092847 0.60 P2RX3 (0.72) DGAT2CYP2C9P2RX3PPARG
SCHEMBL12388526 0.60 CYP2C9 (0.54) DGAT2CYP2C9P2RX3MEN1KMT2A

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 3948/4885CYP2C9 4126/4885P2RX3 1/4885

“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.