SCHEMBL18640459

SCHEMBL18640459

COC(=O)C1CC(c2cccc(N)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.37
DDX3X O00571 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL18640463 0.82 SLC6A4 (0.51) POLBALDH1A1CYP1A2TSHRSLC6A3
SCHEMBL21512714 0.82 OPRK1 (0.43) ALDH1A1
SCHEMBL21512715 0.82 GRIN2B (0.42) SLC6A3SLC6A2
SCHEMBL29969842 0.82 GRIN2B (0.42) SLC6A3SLC6A2
SCHEMBL30967779 0.82 SLC6A4 (0.51) POLBALDH1A1CYP1A2TSHRSLC6A3
SCHEMBL29969542 0.82 OPRK1 (0.43) ALDH1A1
SCHEMBL11661683 0.81 CHRNB2 (0.41) POLBALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL2448643 0.80 AKR1C3 (0.53) POLBALDH1A1ATMCYP3A4CYP1A2
SCHEMBL27768834 0.79 MAPK1 (0.43) MAPK1
SCHEMBL22352965 0.79 SLC9A1 (0.48) ALDH1A1ATMCYP3A4CYP1A2CYP2D6

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
EP-3350165-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-07-26 EP disclosed
EP-3350165-B1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO INC (US) 2023-07-26 EP disclosed
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ORGANOVO, INC. 2022-03-17 US disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 US disclosed
CN-108349893-B Farnesoid X receptor agonists and uses thereof 梅塔克林公司 2021-12-28 CN disclosed
US-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2021-02-04 US disclosed
US-10703712-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-07-07 US disclosed
US-10703712-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-07-07 US disclosed
US-20180282263-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF ELI LILLY AND COMPANY 2018-10-04 US disclosed
EP-3350165-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2018-07-25 EP disclosed
WO-2017049173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
WO-2017049173-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO 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-20210032195-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 POLB 4062/4885ALDH1A1 2205/4885ATM 3665/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 POLB 4062/4885ALDH1A1 2205/4885ATM 3665/4885
US-10703712-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 POLB 4062/4885ALDH1A1 2205/4885ATM 3665/4885
US-20180282263-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 POLB 4062/4885ALDH1A1 2205/4885ATM 3665/4885
US-20220081390-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 POLB 4062/4885ALDH1A1 2205/4885ATM 3665/4885

“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.