SCHEMBL21499689

SCHEMBL21499689

CCCc1nc2c(n1Cc1ccc(Cl)cc1)C(=O)N(CCCO)C(O)N2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.41
▸ P2RX3 P56373 6/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ TRPC4 Q9UBN4 1/20 0.36
▸ TRPC5 Q9UL62 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL18834374 0.94 P2RX3 (0.38) PDE5AP2RX3SMN1; SMN2KCNH2TRPC4
SCHEMBL21499690 0.92 P2RX3 (0.39) PDE5AP2RX3KCNH2TRPC4TRPC5
SCHEMBL21316298 0.87 P2RX3 (0.46) PDE5AP2RX3TRPC5TP53
SCHEMBL19505090 0.86 TSHR (0.40) PDE5AP2RX3LMNAHPGDSMN1; SMN2
SCHEMBL21316262 0.84 P2RX3 (0.41) PDE5AP2RX3HPGDKCNH2TRPC4
SCHEMBL20431976 0.84 TP53 (0.44) P2RX3RAB9ALMNASMN1; SMN2TP53
SCHEMBL21499654 0.84 P2RX3 (0.40) PDE5AP2RX3KCNH2TRPC4TRPC5
SCHEMBL19374881 0.83 P2RX3 (0.44) PDE5AP2RX3KCNH2TRPC4TRPC5
SCHEMBL21499648 0.83 TRPC4 (0.40) PDE5AP2RX3KCNH2TRPC4TRPC5
SCHEMBL19505259 0.82 P2RX3 (0.39) P2RX3KCNH2TRPC4TRPC5TP53

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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, LLC (US) 2023-02-09 — — US disclosed
US-11208409-B2 Substituted xanthines and methods of use thereof HYDRA BIOSCIENCES, LLC (US) 2021-12-28 — — US disclosed
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-24 — — 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 (3 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-20230040259-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE5A 461/4885P2RX3 30/4885NPC1 988/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 PDE5A 461/4885P2RX3 30/4885NPC1 988/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 PDE5A 461/4885P2RX3 30/4885NPC1 988/4885

“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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