SCHEMBL3343368

SCHEMBL3343368

CCc1cc2c(cc1N)N(CCO)C(=O)CO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
KMO O15229 1/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 3/20 0.39
CHRM1 P11229 1/20 0.39
REN P00797 1/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.38
PLK1 P53350 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3346100 0.86 KMO (0.44) KMOHTTTSHRPOLBTP53
SCHEMBL3345870 0.84 KMO (0.42) KMOHTTTSHRPOLBCHRM1
SCHEMBL1744896 0.82 CYP11B2 (0.41) THRB
SCHEMBL5799186 0.77 KMO (0.52) KMOHTTTSHRPOLBTP53
SCHEMBL1746123 0.75 CHRM1 (0.39) THRBKMOHTTTSHRPOLB
SCHEMBL8602365 0.75 CHRM1 (0.47) KMOHTTTSHRPOLBCHRM1
SCHEMBL8599840 0.73 CHRM1 (0.51) POLBCHRM1RENCYP1A2CYP2C9
SCHEMBL8598261 0.72 CHRM1 (0.50) POLBCHRM1REN
SCHEMBL8600207 0.71 RORC (0.43) HTTTSHRPOLBCHRM1USP2
SCHEMBL708034 0.71 L3MBTL1 (0.52) KMOHTTTSHRUSP2ALDH1A1

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
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US claimed
US-8372865-B2 Dihydropyridone amides as P2X7 modulators ROCHE PALO ALTO LLC (US) 2013-02-12 US disclosed
US-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160373-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX3, P2RX1 THRB 1418/4885KMO 2960/4885HTT 1502/4885

“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.