SCHEMBL21045941

SCHEMBL21045941

CC(C)Oc1cc(C#N)ncc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
XDH P47989 3/20 0.37
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
P2RX3 P56373 1/20 0.35
SYK P43405 1/20 0.35
MET P08581 1/20 0.34
CHEK1 O14757 2/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL21045599 0.81 PDE10A (0.40) CYP11B1CYP11B2CHEK1EGFR
SCHEMBL21045855 0.78 CHEK1 (0.40) CYP11B1CYP11B2CYP2C19SYKCHEK1
SCHEMBL30439920 0.78 CHEK1 (0.40) CYP11B1CYP11B2CYP2C19SYKCHEK1
SCHEMBL22582892 0.78 CTSS (0.44) XDH
SCHEMBL22583291 0.78 XDH (0.36) CYP11B1CYP11B2XDHCYP2C19KCNH2
SCHEMBL19088242 0.77 ALOX5AP (0.37) CYP11B1CYP11B2P2RX3SYKKCNQ3
SCHEMBL18036222 0.72 KCNQ3 (0.41) CYP11B1CYP11B2SYKCHEK1KCNQ3
SCHEMBL31633801 0.71 GPR6 (0.37) SYKCHEK1KCNQ3KCNQ2
SCHEMBL16909257 0.71 EGLN2 (0.40) CYP11B1CYP11B2CYP2C19CHEK1KCNQ3
SCHEMBL20944700 0.70 XDH (0.37) CYP11B1CYP11B2XDHP2RX3CHEK1

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 CYP11B1 1093/4885CYP11B2 1757/4885XDH 2074/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 CYP11B1 1206/4885CYP11B2 2018/4885XDH 2144/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 CYP11B1 1093/4885CYP11B2 1757/4885XDH 2074/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 CYP11B1 1093/4885CYP11B2 1757/4885XDH 2074/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 CYP11B1 1093/4885CYP11B2 1757/4885XDH 2074/4885

“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.