SCHEMBL19505563

SCHEMBL19505563

CCn1c(OCC2CCCC2)nc2c1C(=O)N(CCCO)C(O)N2C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.36
▸ MAOB P27338 2/20 0.36
▸ PDE5A O76074 1/20 0.31

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
SCHEMBL18834153 0.80 — —
SCHEMBL19505559 0.80 PDE5A (0.31) PDE5A
SCHEMBL19505562 0.73 P2RX3 (0.30) —
SCHEMBL21499654 0.71 P2RX3 (0.40) PDE5A
SCHEMBL21316262 0.71 P2RX3 (0.41) PDE5A
SCHEMBL21499718 0.71 P2RX3 (0.47) —
SCHEMBL20432383 0.70 — —
SCHEMBL16028329 0.69 MAOA (0.57) MAOAMAOB
SCHEMBL21499648 0.68 TRPC4 (0.40) PDE5A
SCHEMBL21499715 0.67 P2RX3 (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969736-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2018-05-15 — — US disclosed
US-20170305910-A1 Substituted Xanthines and Methods of Use Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-26 — — 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-20170305910-A1 Substituted Xanthines and Methods of Use Thereof TRPC5, TRPC7, TRPC4 MAOA 886/4885MAOB 518/4885PDE5A 461/4885

“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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