SCHEMBL21045949

SCHEMBL21045949

CCOc1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PKM P14618 1/20 0.49
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
P2RX3 P56373 1/20 0.46
ATR Q13535 1/20 0.43
GCK P35557 1/20 0.42
LMNA P02545 2/20 0.41
ABL1 P00519 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
RIOK2 Q9BVS4 3/20 0.41
IGF1R P08069 1/20 0.41
CYP17A1 P05093 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3A P49840 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL21081212 0.89 P2RX3 (0.44) RAB9ANPC1SMN1; SMN2PKMP2RX3
SCHEMBL12888266 0.88 P2RX3 (0.46) RAB9ANPC1SMN1; SMN2PKMP2RX3
SCHEMBL23988616 0.87 P2RX3 (0.45) RAB9ANPC1SMN1; SMN2PKMP2RX3
SCHEMBL23988606 0.86 P2RX3 (0.44) RAB9ANPC1P2RX3ATRGCK
SCHEMBL3938343 0.86 RIOK2 (0.51) RAB9ANPC1SMN1; SMN2PKMP2RX3
SCHEMBL30427105 0.86 RIOK2 (0.51) RAB9ANPC1SMN1; SMN2PKMP2RX3
SCHEMBL28810856 0.85 ALDH1A1 (0.45) SMN1; SMN2P2RX3ATRLMNAGSK3B
SCHEMBL21999303 0.85 P2RX3 (0.42) RAB9ANPC1SMN1; SMN2PKMP2RX3
SCHEMBL25596870 0.84 P2RX3 (0.41) P2RX3ATRGCKGSK3BDYRK1A
SCHEMBL25596869 0.83 ELANE (0.44) P2RX3ATRGCKGSK3BDYRK1A

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 11 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
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 RAB9A 558/4885NPC1 135/4885SMN1; SMN2 2918/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 RAB9A 497/4885NPC1 143/4885SMN1; SMN2 3310/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 RAB9A 558/4885NPC1 135/4885SMN1; SMN2 2918/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 RAB9A 558/4885NPC1 135/4885SMN1; SMN2 2918/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 RAB9A 558/4885NPC1 135/4885SMN1; SMN2 2918/4885

“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.