SCHEMBL14243117

SCHEMBL14243117

CC(C)Sc1c2c(nn1Cc1ccc(-c3cccc(F)n3)cc1)N1C(=N[C@@H]3CCC[C@@H]31)N(C)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE1A P54750 2/20 1.00
▸ PDE1B Q01064 1/20 0.84
▸ PDE4A P27815 18/20 0.83

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
SCHEMBL18928137 0.92 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL2472569 0.92 PDE1A (0.87) PDE1APDE1BPDE4A
SCHEMBL15869800 0.92 PDE1A (0.84) PDE1APDE1BPDE4A
SCHEMBL14243419 0.92 PDE1A (1.00) PDE1APDE1BPDE4A
SCHEMBL2507601 0.91 PDE4A (1.00) PDE1APDE1BPDE4A
SCHEMBL18927849 0.91 PDE4A (1.00) PDE1APDE1BPDE4A
SCHEMBL14243423 0.89 PDE4A (0.85) PDE1APDE1BPDE4A
SCHEMBL29790189 0.89 PDE4A (0.85) PDE1APDE1BPDE4A
SCHEMBL14158310 0.89 PDE4A (0.85) PDE1APDE1BPDE4A
SCHEMBL7522782 0.87 PDE4A (0.80) PDE1APDE1BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200138820-A1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2020-05-07 — — US disclosed
US-20200138820-A1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2020-05-07 — — US disclosed
US-10561656-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2020-02-18 — — US disclosed
US-10561656-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2020-02-18 — — US disclosed
EP-2717877-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-11-08 — — EP disclosed
EP-2717877-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2017-11-08 — — EP disclosed
US-20140194396-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-07-10 — — US disclosed
US-20140194396-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-07-10 — — US disclosed
US-20140194396-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2014-07-10 — — US disclosed
WO-2012171016-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2012-12-13 — — 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 (3 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-20200138820-A1 ORGANIC COMPOUNDS PDE3A, PDE3B, PDE5A PDE1A 40/4885PDE1B 35/4885PDE4A 7/4885
US-20140194396-A1 ORGANIC COMPOUNDS PDE3A, PDE3B, PDE5A PDE1A 40/4885PDE1B 35/4885PDE4A 7/4885
US-10561656-B2 Organic compounds PDE3A, PDE3B, PDE5A PDE1A 40/4885PDE1B 35/4885PDE4A 7/4885

“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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