SCHEMBL19505314

SCHEMBL19505314

COc1cccc(Oc2nc3c(n2Cc2ccc(Cl)cc2)C(=O)N(CCOCCO)C(O)N3C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.43
▸ TRPC5 Q9UL62 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ TRPC1 P48995 1/20 0.41
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ P2RX3 P56373 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL19505328 0.94 TRPC5 (0.49) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505500 0.91 TRPC5 (0.50) TRPC4TRPC5KCNH2TRPC1POLB
SCHEMBL22619613 0.85 TRPC5 (0.57) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505488 0.85 TRPC5 (0.45) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL21499671 0.85 TRPC5 (0.48) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505323 0.84 TRPC5 (0.44) TRPC4TRPC5TRPC1P2RX3
SCHEMBL19505055 0.84 TRPC5 (0.56) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505249 0.84 TRPC5 (0.49) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL21499661 0.83 MAPT (0.38) TRPC4TRPC5KCNH2POLBRXFP1
SCHEMBL19374906 0.83 TRPC5 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399982-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, INC. (US) 2019-09-03 — — US disclosed
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 (2 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
US-10399982-B2 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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