SCHEMBL16297714

SCHEMBL16297714

CCN1C(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.73

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
SCHEMBL10201536 0.92 PDE5A (0.61) PDE5A
SCHEMBL8221376 0.91 PDE5A (0.73) PDE5A
SCHEMBL8217537 0.89 PDE5A (0.76) PDE5A
SCHEMBL16299630 0.86 PDE5A (0.59) PDE5A
SCHEMBL10201522 0.85 PDE5A (0.61) PDE5A
SCHEMBL16313327 0.85 PDE5A (0.55) PDE5A
SCHEMBL16299640 0.85 PDE5A (0.55) PDE5A
SCHEMBL8360097 0.84 PDE5A (1.00) PDE5A
SCHEMBL16297709 0.84 PDE5A (0.60) PDE5A
SCHEMBL16298478 0.84 PDE5A (0.55) PDE5A

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-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-9198924-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-12-01 — — US disclosed
US-9006258-B2 Method of treating female sexual dysfunction with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-14 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. 2011-12-22 — — US disclosed
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. 2011-12-22 — — US disclosed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
WO-2010098839-A1 PDE 1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. (US) 2010-09-02 — — WO disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 — — 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 (5 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 1/4885
US-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE5A 2/4885
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS PDE12, PDE5A, PDE3A PDE5A 2/4885
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A PDE5A 1/4885

“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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