SCHEMBL12723984

SCHEMBL12723984

O=C(O)c1cccc2nc(N3CCN(C(=O)O)CC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 7/20 0.55
▸ PKM P14618 2/20 0.50
▸ HTR3A P46098 1/20 0.47
▸ KDM4E B2RXH2 7/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ RECQL P46063 1/20 0.41

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
SCHEMBL14899290 0.87 PKM (0.53) HCAR2PKMHTR3AKDM4EALDH1A1
SCHEMBL12701252 0.83 PKM (0.71) HCAR2PKMKDM4EALDH1A1SMN1; SMN2
SCHEMBL5237714 0.83 HTR1A (0.51) HCAR2HTR3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12701294 0.83 MAP4K4 (0.53) HCAR2PKM
SCHEMBL29931500 0.80 KDM4E (0.68) HCAR2HTR3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5239212 0.80 KDM4E (0.68) HCAR2HTR3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL28139867 0.74 HCAR2 (0.41) HCAR2PKMHTR3A
SCHEMBL5128181 0.73 MAP4K4 (0.43) HCAR2HTR3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12701264 0.73 KDM4E (0.58) HCAR2PKMHTR3AKDM4EALDH1A1
SCHEMBL12701240 0.73 KDM4E (0.52) HCAR2PKMKDM4EALDH1A1MEN1

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-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 — — 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-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS P2RX7, P2RX1, P2RX3 HCAR2 69/4885PKM 2585/4885HTR3A 250/4885

“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.

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