SCHEMBL22105628

SCHEMBL22105628

CCN1c2nc(-c3cc(F)c(OC4CCC4)nc3C)n(Cc3ccc(F)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 9/20 0.34
▸ PDE5A O76074 2/20 0.32
▸ CNR1 P21554 3/20 0.31
▸ CNR2 P34972 3/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ FAAH O00519 1/20 0.30
▸ ABHD12 Q8N2K0 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL22105423 0.88 P2RX3 (0.35) P2RX3PDE5ACYP2D6HRH1
SCHEMBL24495690 0.86 P2RX3 (0.34) P2RX3PDE5ACNR1CNR2CYP2D6
SCHEMBL22105742 0.86 P2RX3 (0.33) P2RX3PDE5ACNR1CNR2CYP2D6
SCHEMBL22105849 0.85 P2RX3 (0.35) P2RX3PDE5ACYP2D6HRH1P2RX7
SCHEMBL22105422 0.82 P2RX3 (0.37) P2RX3P2RX7
SCHEMBL24091847 0.81 P2RX3 (0.31) P2RX3
SCHEMBL24495601 0.81 P2RX3 (0.31) P2RX3
SCHEMBL24091844 0.80 P2RX3 (0.31) P2RX3
SCHEMBL24092238 0.79 P2RX3 (0.35) P2RX3CYP2D6HRH1
SCHEMBL22105355 0.78 PDE5A (0.43) P2RX3PDE5A

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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-18 — — 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-20200190093-A1 SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPM5 P2RX3 9/4885PDE5A 468/4885CNR1 270/4885

“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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