SCHEMBL10201596

SCHEMBL10201596

CCN1C(=O)c2c(nc(NC3CCCC3)n2Cc2ccc(C)c(Br)c2)N2CCCN=C12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 16/20 0.42
▸ DPP4 P27487 3/20 0.38
▸ FAP Q12884 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL10201552 0.96 PDE5A (0.43) PDE5ADPP4FAP
SCHEMBL10201530 0.95 PDE5A (0.44) PDE5ADPP4FAP
SCHEMBL6628887 0.90 PDE5A (0.55) PDE5ADPP4
SCHEMBL10201510 0.89 PDE5A (0.39) PDE5ADPP4FAP
SCHEMBL10201576 0.89 PDE5A (0.43) PDE5ADPP4
SCHEMBL10201590 0.89 PDE5A (0.44) PDE5ADPP4FAP
SCHEMBL8360079 0.87 PDE5A (0.51) PDE5A
SCHEMBL10201556 0.87 PDE5A (0.45) PDE5ADPP4FAP
SCHEMBL8360697 0.87 PDE5A (0.51) PDE5A
SCHEMBL10201565 0.86 PDE5A (0.46) PDE5ADPP4FAP

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-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-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 (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-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885DPP4 631/4885FAP 2208/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885DPP4 631/4885FAP 2208/4885
US-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885DPP4 631/4885FAP 2208/4885

“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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