SCHEMBL10201557

SCHEMBL10201557

CCN1C(=O)c2c(nc(NC3CCOCC3)n2Cc2cc(C)c3c(c2)CCO3)N2CCN=C12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 15/20 0.36
▸ FAP Q12884 11/20 0.36
▸ PDE4B Q07343 2/20 0.36
▸ PDE7A Q13946 2/20 0.36
▸ SSTR5 P35346 1/20 0.33
▸ PDE5A O76074 2/20 0.32

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
SCHEMBL10201571 0.94 PDE5A (0.38) DPP4FAPPDE4BPDE7ASSTR5
SCHEMBL8204820 0.92 DPP4 (0.36) DPP4FAPPDE4BPDE7ASSTR5
SCHEMBL16298496 0.92 PDE4B (0.35) DPP4FAPPDE4BPDE7ASSTR5
SCHEMBL6670564 0.92 PDE4B (0.35) DPP4FAPPDE4BPDE7ASSTR5
SCHEMBL10201548 0.88 PDE4B (0.40) DPP4FAPPDE4BPDE7APDE5A
SCHEMBL16299629 0.86 PDE5A (0.37) DPP4FAPPDE4BPDE7ASSTR5
SCHEMBL16299631 0.85 PDE5A (0.46) DPP4FAPPDE4BPDE7APDE5A
SCHEMBL10201520 0.85 DPP4 (0.40) DPP4FAPPDE4BPDE7APDE5A
SCHEMBL8217539 0.84 PDE5A (0.48) PDE5A
SCHEMBL10201510 0.84 PDE5A (0.39) DPP4FAPPDE4BPDE7APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-20160375028-A1 ORGANIC COMPOUNDS FIENBERG ALLEN A (US) 2016-12-29 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — 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 (4 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-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A DPP4 631/4885FAP 2208/4885PDE4B 8/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A DPP4 90/4885FAP 96/4885PDE4B 24/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A DPP4 631/4885FAP 2208/4885PDE4B 8/4885
US-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A DPP4 631/4885FAP 2208/4885PDE4B 8/4885

“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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