SCHEMBL21045666

SCHEMBL21045666

COC1=C(C2=CCNCC2)CN(C(=O)OC(C)(C)C)C(N)=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.35
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ADORA1 P30542 1/20 0.32
BRPF1 P55201 1/20 0.32
NR1H2 P55055 1/20 0.31
HTR6 P50406 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL21045793 0.87 NR1H2 (0.32) QDPRKDM4EMAPTADORA1NR1H2
SCHEMBL21045607 0.85 QDPR (0.38) QDPRKDM4EMAPTBRPF1HTR6
SCHEMBL17376353 0.74 QDPR (0.34) QDPRBRPF1
SCHEMBL25385174 0.73 NR1H2 (0.32) ADORA1NR1H2
SCHEMBL21274226 0.73 PLAT (0.33) KDM4EMAPTADORA1
SCHEMBL18398429 0.72 ADORA1 (0.31) ADORA1NR1H2
SCHEMBL27233080 0.71 NAMPT (0.33) QDPRKDM4EMAPTNR1H2HTR6
SCHEMBL22367042 0.70 SIGMAR1 (0.36) QDPRKDM4EMAPTHTR6HTR7
SCHEMBL3664878 0.68 HTR2C (0.35) QDPR
SCHEMBL3664875 0.67 HTR2C (0.34) QDPR

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-RE49699-E1 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-17 US disclosed
US-11485740-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-11-01 US disclosed
US-20200399282-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 US disclosed
US-10800757-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-10-13 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 (4 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-20200399282-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 QDPR 148/4885KDM4E 3485/4885MAPT 1780/4885
US-11485740-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 QDPR 148/4885KDM4E 3485/4885MAPT 1780/4885
US-20190169167-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC7 QDPR 106/4885KDM4E 3581/4885MAPT 2284/4885
US-10800757-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC7 QDPR 106/4885KDM4E 3581/4885MAPT 2284/4885

“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.