SCHEMBL12701400

SCHEMBL12701400

O[C@@H]1CCN(c2ccc3c(Br)c(F)ccc3n2)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.45
▸ PDE10A Q9Y233 4/20 0.41
▸ METAP2 P50579 2/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL1134096 0.76 NPC1 (0.48) —
SCHEMBL12701374 0.76 HTR3A (0.55) —
SCHEMBL4918026 0.74 P2RX7 (0.55) P2RX7PDE10A
SCHEMBL17310957 0.73 P2RX7 (0.59) P2RX7
SCHEMBL7702371 0.71 PDE10A (0.69) PDE10A
SCHEMBL15134892 0.71 PDE10A (0.69) PDE10A
SCHEMBL7707796 0.71 PDE10A (0.69) PDE10A
SCHEMBL15509173 0.70 METAP2 (0.46) PDE10AMETAP2PRKDC
SCHEMBL15515890 0.70 METAP2 (0.46) PDE10AMETAP2PRKDC
SCHEMBL15509072 0.70 METAP2 (0.46) PDE10AMETAP2PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 — — US disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 — — US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 — — US disclosed
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 P2RX7 1/4885PDE10A 1376/4885METAP2 3253/4885

“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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