SCHEMBL18840666

SCHEMBL18840666

CN1C(=O)c2c(nc(Cc3ccc(-c4ccccc4)cc3)n2Cc2ccccc2)N2C1=N[C@@H]1CCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 1.00
▸ PDE4A P27815 1/20 1.00
▸ PDE4B Q07343 1/20 1.00
▸ PDE4C Q08493 1/20 1.00
▸ PDE4D Q08499 1/20 1.00

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
SCHEMBL233809 1.00 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715472 1.00 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL253643 0.95 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL231701 0.95 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5077752 0.90 PDE5A (0.83) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237558 0.89 PDE5A (0.87) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL237559 0.89 PDE5A (0.87) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7431010 0.89 PDE5A (0.87) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL714981 0.88 PDE5A (0.85) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL714980 0.88 PDE5A (0.85) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183023-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2019-01-22 — — US disclosed
US-20170128453-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2017-05-11 — — US disclosed
US-20170128453-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2017-05-11 — — 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 (2 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-10183023-B2 Uses CNTN1, BDNF, SMPD1 PDE5A 14/4885PDE4A 44/4885PDE4B 62/4885
US-20170128453-A1 NOVEL USES BDNF, CNTN1, DCX PDE5A 28/4885PDE4A 27/4885PDE4B 29/4885

“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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