SCHEMBL18834309

SCHEMBL18834309

CC(C)CCn1c(Oc2cccc(Cl)c2)nc2c1C(=O)N(CCCO)C(O)N2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 5/20 0.44
▸ TRPC4 Q9UBN4 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ ALDH1A1 P00352 7/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ TRPC1 P48995 1/20 0.36
▸ CYP1A2 P05177 6/20 0.34
▸ CYP2C9 P11712 6/20 0.34
▸ CYP2C19 P33261 6/20 0.34
▸ TSHR P16473 5/20 0.34
▸ CYP3A4 P08684 5/20 0.34
▸ USP2 O75604 4/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ RHEB Q15382 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPK1 P28482 2/20 0.32

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
SCHEMBL19375179 0.88 ADORA1 (0.38) TRPC5TRPC4KCNH2MAPTKMT2A
SCHEMBL22619613 0.87 TRPC5 (0.57) TRPC5TRPC4KCNH2ALDH1A1TRPC1
SCHEMBL20432456 0.83 TRPC5 (0.43) TRPC5MAPTHTTLMNA
SCHEMBL19375459 0.82 TRPC5 (0.43) TRPC5TRPC4KCNH2ALDH1A1MAPT
SCHEMBL19505500 0.81 TRPC5 (0.50) TRPC5TRPC4KCNH2ALDH1A1KMT2A
SCHEMBL19505249 0.81 TRPC5 (0.49) TRPC5TRPC4KCNH2ALDH1A1KMT2A
SCHEMBL19374906 0.80 TRPC5 (0.49) TRPC5TRPC4KCNH2TRPC1ADORA3
SCHEMBL20432383 0.80 — —
SCHEMBL19505572 0.79 TRPC4 (0.47) TRPC5TRPC4KCNH2TRPC1ADORA3
SCHEMBL18835341 0.79 TRPC4 (0.41) TRPC5TRPC4KCNH2ALDH1A1KMT2A

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 5 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
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
EP-2970303-B1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-05-10 — — EP 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 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-11208409-B2 Substituted xanthines and methods of use thereof TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 70/4885
US-20190322667-A1 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF TRPC5, TRPC7, TRPC4 TRPC5 1/4885TRPC4 3/4885KCNH2 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.

Send feedback