SCHEMBL19505396

SCHEMBL19505396

CCN1c2nc(Oc3ccc(C(F)(F)F)cc3)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.41
▸ TRPC5 Q9UL62 2/20 0.41
▸ TRPC1 P48995 1/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ P2RX3 P56373 16/20 0.38
▸ NPBWR1 P48145 1/20 0.36
▸ PDE5A O76074 1/20 0.35

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
SCHEMBL19375592 0.92 TRPC5 (0.48) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19374704 0.92 TRPC4 (0.42) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19375680 0.89 TRPC4 (0.46) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL21499695 0.86 TRPC5 (0.59) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19505516 0.85 TRPC5 (0.47) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL18834916 0.84 TRPC4 (0.45) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19375611 0.84 TRPC4 (0.41) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL19505394 0.84 TRPC5 (0.48) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL20432442 0.84 TRPC5 (0.48) TRPC4TRPC5TRPC1KCNH2P2RX3
SCHEMBL21499684 0.84 P2RX3 (0.44) TRPC4TRPC5KCNH2P2RX3PDE5A

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 TRPC4 3/4885TRPC5 1/4885TRPC1 4/4885

“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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