SCHEMBL22096350

SCHEMBL22096350

CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(Cc2ccc(-c3ccccc3)cc2)c1Cc1cccc(-c2cccc(-c3ccc(Cn4nc5c(c4Cc4ccccc4)C(=O)N(C)C4=N[C@@H]6CCCC[C@@H]6N45)cc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 15/20 0.62
▸ PDE5A O76074 2/20 0.56
▸ PDE2A O00408 1/20 0.56
▸ PDE8A O60658 1/20 0.56
▸ PDE3B Q13370 1/20 0.56
▸ PDE11A Q9HCR9 1/20 0.56
▸ PDE7B Q9NP56 1/20 0.56
▸ PDE10A Q9Y233 1/20 0.56
▸ PDE1A P54750 1/20 0.51
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49

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
SCHEMBL18745385 0.87 PDE4A (0.73) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL4919006 0.87 PDE4A (0.73) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL8248711 0.86 PDE4A (0.78) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL4924402 0.76 PDE4A (0.72) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL18380624 0.76 PDE4A (0.72) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL7874805 0.74 PDE4A (0.57) PDE4APDE5APDE3BPDE4BPDE4C
SCHEMBL4922144 0.73 PDE4A (1.00) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL18745384 0.73 PDE4A (1.00) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL18844227 0.72 PDE4A (0.77) PDE4APDE5APDE2APDE8APDE3B
SCHEMBL19134017 0.72 PDE4A (1.00) PDE4APDE5APDE2APDE8APDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682355-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2020-06-16 — — 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-10682355-B2 Uses CNTN1, BDNF, SMPD1 PDE4A 44/4885PDE5A 14/4885PDE2A 9/4885

“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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