SCHEMBL16299631

SCHEMBL16299631

CCN1C(=O)c2c(nc(NC3CCOCC3)n2Cc2ccc(O)c(C)c2)N2CCN=C12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.46
▸ PDE4B Q07343 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ FAP Q12884 2/20 0.38

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
SCHEMBL16299641 0.93 PDE5A (0.54) PDE5ADPP4FAP
SCHEMBL10201548 0.93 PDE4B (0.40) PDE5APDE4BPDE7ADPP4FAP
SCHEMBL6669930 0.92 PDE5A (0.48) PDE5APDE4BPDE7A
SCHEMBL7880637 0.92 PDE5A (0.55) PDE5ADPP4FAP
SCHEMBL8360073 0.92 PDE5A (0.48) PDE5APDE4BPDE7A
SCHEMBL10201520 0.91 DPP4 (0.40) PDE5APDE4BPDE7ADPP4FAP
SCHEMBL8217539 0.89 PDE5A (0.48) PDE5A
SCHEMBL10201510 0.89 PDE5A (0.39) PDE5APDE4BPDE7ADPP4FAP
SCHEMBL6683134 0.86 PDE5A (0.55) PDE5A
SCHEMBL10201590 0.86 PDE5A (0.44) PDE5APDE4BPDE7ADPP4FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10238660-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-03-26 — — US disclosed
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-9198924-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-12-01 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — 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 PDE5A 1/4885PDE4B 8/4885PDE7A 12/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE4B 8/4885PDE7A 12/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE5A 2/4885PDE4B 9/4885PDE7A 14/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE4B 8/4885PDE7A 12/4885

“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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