SCHEMBL19505503

SCHEMBL19505503

CN1c2nc(Oc3ccccc3F)n(Cc3ccc(Cl)cc3)c2C(=O)N(CCCO)C1O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.39
▸ TRPC5 Q9UL62 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TRPC1 P48995 1/20 0.38
▸ P2RX3 P56373 14/20 0.37
▸ MAPT P10636 2/20 0.35
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL18834254 0.91 TRPC4 (0.40) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834945 0.90 TRPC4 (0.39) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18833918 0.89 P2RX3 (0.35) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834366 0.88 TRPC5 (0.38) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL20432022 0.88 TRPC4 (0.42) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505572 0.88 TRPC4 (0.47) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18834916 0.87 TRPC4 (0.45) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL21499678 0.86 TRPC5 (0.48) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19375436 0.86 P2RX7 (0.35) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL21499680 0.85 P2RX3 (0.39) TRPC4TRPC5KCNH2TRPC1P2RX3

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 1/4885KCNH2 70/4885

“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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