SCHEMBL21045756

SCHEMBL21045756

COc1cc(C(=O)O)ncc1OC(CF)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 12/20 0.41
KDM4E B2RXH2 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
P4HTM Q9NXG6 2/20 0.36
STING1 Q86WV6 1/20 0.35
GPR35 Q9HC97 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL21045763 0.89 TRPC6 (0.41) TRPC6KDM4E
SCHEMBL21045936 0.83 TRPC6 (0.55) TRPC6KDM4EASPHKDM8P4HTM
SCHEMBL21045922 0.83 TRPC6 (0.55) TRPC6KDM4EASPHKDM8P4HTM
SCHEMBL21045923 0.83 TRPC6 (0.55) TRPC6KDM4EASPHKDM8P4HTM
SCHEMBL21045747 0.80 TRPC6 (0.50) TRPC6KDM4EASPHKDM8P4HTM
SCHEMBL29368707 0.76 GPR35 (0.49) KDM4EASPHKDM8P4HTMGPR35
SCHEMBL18009392 0.76 GPR35 (0.49) KDM4EASPHKDM8P4HTMGPR35
SCHEMBL71748 0.74 KMO (0.45) TRPC6KDM4EASPHKDM8P4HTM
SCHEMBL21045798 0.73 TRPC6 (0.55) TRPC6
SCHEMBL29011982 0.73 TRPC6 (0.38) TRPC6KDM4EASPHKDM8P4HTM

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
CN-111527078-B Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2023-06-02 CN disclosed
EP-3700902-B1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INT (DE) 2023-03-08 EP disclosed
EP-3786160-B1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-07-13 EP disclosed
US-20210163449-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-06-03 US disclosed
EP-3786160-A1 PYRIDINE DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2021-03-03 EP disclosed
US-10889568-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-12 US disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 US disclosed
EP-3700902-A1 PYRIDINE CARBONYL DERIVATIVES AND THERAPEUTIC USES THEREOF AS TRPC6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2020-09-02 EP disclosed
CN-111527078-A Pyridinecarbonyl derivatives and their therapeutic use as TRPC6 inhibitors 勃林格殷格翰国际公司 2020-08-11 CN disclosed
US-20190169168-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-06 US disclosed
US-20190169167-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2019-06-06 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 (5 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-20190169168-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885KDM4E 3581/4885ASPH 3905/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885KDM4E 3535/4885ASPH 3740/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885KDM4E 3581/4885ASPH 3905/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885KDM4E 3581/4885ASPH 3905/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885KDM4E 3581/4885ASPH 3905/4885

“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.