SCHEMBL7513486

SCHEMBL7513486

CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Oc2ccc(F)cc2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 18/20 1.00
▸ PDE1A P54750 2/20 0.71
▸ PDE1B Q01064 1/20 0.71

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
SCHEMBL7518400 0.95 PDE4A (1.00) PDE4APDE1APDE1B
SCHEMBL14827544 0.93 PDE4A (0.88) PDE4APDE1APDE1B
SCHEMBL7511584 0.91 PDE4A (0.86) PDE4APDE1APDE1B
SCHEMBL12070394 0.90 PDE4A (0.81) PDE4APDE1APDE1B
SCHEMBL7512612 0.88 PDE4A (0.80) PDE4APDE1APDE1B
SCHEMBL7522782 0.88 PDE4A (0.80) PDE4APDE1APDE1B
SCHEMBL7521297 0.87 PDE4A (0.79) PDE4APDE1APDE1B
SCHEMBL29790189 0.87 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL14243423 0.87 PDE4A (0.85) PDE4APDE1APDE1B
SCHEMBL14158310 0.87 PDE4A (0.85) PDE4APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556185-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-31 — — US disclosed
US-9556185-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-31 — — US disclosed
US-9556185-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2017-01-31 — — US disclosed
EP-2576550-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-11 — — EP disclosed
EP-2576550-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-05-11 — — EP disclosed
EP-2576550-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-04-10 — — EP disclosed
US-20130085123-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-04-04 — — US disclosed
US-20130085123-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-04-04 — — US disclosed
US-20130085123-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-04-04 — — US disclosed
WO-2011153129-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 — — WO disclosed
WO-2011153129-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 — — WO 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-20130085123-A1 ORGANIC COMPOUNDS TPMT, TYMS, P2RX4 PDE4A 701/4885PDE1A 4773/4885PDE1B 4779/4885

“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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