SCHEMBL3345870

SCHEMBL3345870

Nc1cc2c(cc1Br)OCC(=O)N2CCO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 3/20 0.36
PLK1 P53350 1/20 0.36
POLB P06746 4/20 0.36
CHRM1 P11229 1/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 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
SCHEMBL3346100 0.86 KMO (0.44) KMOHTTTSHRALDH1A1PLK1
SCHEMBL3343368 0.84 THRB (0.43) KMOHTTTSHRALDH1A1PLK1
SCHEMBL1744601 0.80 PDE3B (0.43) HTTTSHR
SCHEMBL5799186 0.79 KMO (0.52) KMOHTTTSHRUSP30ALDH1A1
SCHEMBL3342601 0.76 ATAD2 (0.40) CHRM1
SCHEMBL1744174 0.75 KMO (0.40) KMOHTTTSHRUSP30ALDH1A1
SCHEMBL3342464 0.73 ATAD2 (0.40) CHRM1
SCHEMBL29901589 0.72 CHRM1 (0.43) KMOHTTTSHRALDH1A1CHRM1
SCHEMBL7358743 0.72 ALDH1A1 (0.61) HTTTSHRALDH1A1POLBTP53
SCHEMBL8602365 0.71 CHRM1 (0.47) KMOHTTTSHRPOLBCHRM1

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 KMO 2960/4885HTT 1502/4885TSHR 526/4885

“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.