SCHEMBL16503588

SCHEMBL16503588

CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1[nH]c(Cc3ccccc3)cc12

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 9/20 0.52
▸ PDE3B Q13370 3/20 0.48
▸ PDE3A Q14432 3/20 0.48
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ P2RX7 Q99572 5/20 0.38
▸ PDE9A O76083 1/20 0.36

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
SCHEMBL20841478 0.80 PDE5A (0.78) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL10201625 0.80 PDE5A (0.78) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL717400 0.76 PDE5A (0.60) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL7874805 0.74 PDE4A (0.57) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL16503589 0.73 PDE5A (0.66) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL194126 0.69 PDE5A (0.59) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL232826 0.69 PDE5A (0.59) PDE5APDE3BPDE3APDE4APDE4B
SCHEMBL18745385 0.69 PDE4A (0.73) PDE5APDE3BPDE4APDE4BPDE4C
SCHEMBL4919006 0.69 PDE4A (0.73) PDE5APDE3BPDE4APDE4BPDE4C
SCHEMBL714340 0.67 PDE3B (0.69) PDE5APDE3BPDE3APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS PDE12, PDE5A, PDE3A PDE5A 2/4885PDE3B 5/4885PDE3A 3/4885

“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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