SCHEMBL19505476

SCHEMBL19505476

CCOCCCc1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccc(Cl)c(CCOCCCc2nc3c(c(=O)n(CCCOC4CCCCO4)c(=O)n3C)n2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPC4 Q9UBN4 2/20 0.45
▸ TRPC5 Q9UL62 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TRPC1 P48995 1/20 0.43
▸ P2RX3 P56373 13/20 0.42
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ MTHFD2 P13995 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TSHR P16473 1/20 0.36

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
SCHEMBL16028111 0.90 P2RX3 (0.48) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL16027673 0.88 TRPC4 (0.51) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL16068298 0.82 TRPC5 (0.60) TRPC4TRPC5KCNH2TRPC1TP53
SCHEMBL18834594 0.79 P2RX3 (0.51) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL19505491 0.79 TRPC4 (0.51) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL16028464 0.78 TRPC5 (0.57) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL16079048 0.77 SMN1; SMN2 (0.48) TRPC4TRPC5KCNH2TRPC1P2RX3
SCHEMBL18833876 0.77 P2RX3 (0.53) TRPC4TRPC5KCNH2P2RX3SMN1; SMN2
SCHEMBL19375417 0.77 P2RX3 (0.52) TRPC4TRPC5KCNH2P2RX3SMN1; SMN2
SCHEMBL16028658 0.77 P2RX3 (0.51) TRPC4TRPC5KCNH2P2RX3SMN1; SMN2

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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