SCHEMBL21876207

SCHEMBL21876207

COc1cnc(C2CCC(C=O)CC2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.36
▸ TRPC6 Q9Y210 3/20 0.32
▸ POLQ O75417 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL21876206 1.00 NR1H4 (0.36) NR1H4TRPC6POLQPDGFRBPDGFRA
SCHEMBL25980320 1.00 NR1H4 (0.36) NR1H4TRPC6POLQPDGFRBPDGFRA
SCHEMBL24458065 0.88 NR1H4 (0.39) NR1H4TRPC6POLQPDGFRBPDGFRA
SCHEMBL22042496 0.75 TRPC6 (0.32) TRPC6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL31092646 0.75 TRPC6 (0.32) TRPC6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL26794450 0.75 KDM1A (0.38) TRPC6PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL18663812 0.74 PDE4A (0.41) NR1H4
SCHEMBL25980360 0.74 PDE4A (0.41) NR1H4
SCHEMBL18640033 0.74 PDE4A (0.41) NR1H4
SCHEMBL21876170 0.72 KDM4E (0.40) NR1H4KDM4EALDH1A1HPGDTSHR

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-20210300875-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2021-09-30 — — US disclosed
US-10961198-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2021-03-30 — — US disclosed
US-20200131134-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2020-04-30 — — US disclosed
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 — — US disclosed
US-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2020-04-30 — — 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-20200131142-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NR1H4 1/4885TRPC6 3859/4885POLQ 3106/4885
US-20200131129-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NR1H4 1/4885TRPC6 3859/4885POLQ 3106/4885
US-20210300875-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NR1H4 1/4885TRPC6 3859/4885POLQ 3106/4885
US-20200131134-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 NR1H4 1/4885TRPC6 3859/4885POLQ 3106/4885
US-10961198-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 NR1H4 1/4885TRPC6 3859/4885POLQ 3106/4885

“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.

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