SCHEMBL21045948

SCHEMBL21045948

Nc1cc(OC2CC2)c(C2=CCN(C(=O)O)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 6/20 0.40
JAK1 P23458 7/20 0.36
BTK Q06187 2/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
GAA P10253 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
SCHEMBL21045954 0.86 QDPR (0.42) TRPC6
SCHEMBL29774097 0.85 JAK1 (0.49) JAK1BTK
SCHEMBL21045851 0.85 JAK1 (0.49) JAK1BTK
SCHEMBL1937547 0.80 GABRP (0.46) BTKALDH1A1SMN1; SMN2
SCHEMBL21045832 0.74 TRPC6 (0.61) TRPC6
SCHEMBL30439968 0.73 GRM1 (0.50) JAK1BTK
SCHEMBL21045699 0.73 GRM1 (0.50) JAK1BTK
SCHEMBL28538259 0.71 NAMPT (0.39) ALDH1A1SMN1; SMN2GAA
SCHEMBL16679148 0.70 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAA
SCHEMBL28365554 0.70 BTK (0.45) BTKALDH1A1SMN1; SMN2GAA

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 9 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
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
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 1/4885JAK1 2588/4885BTK 1700/4885
US-20210163449-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885JAK1 2604/4885BTK 1602/4885
US-10889568-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885JAK1 2588/4885BTK 1700/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885JAK1 2588/4885BTK 1700/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 TRPC6 1/4885JAK1 2588/4885BTK 1700/4885

“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.