SCHEMBL498171

SCHEMBL498171

OCc1c(C2CC2)nnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.44
NOTUM Q6P988 4/20 0.37
GABRB3 P28472 2/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM2 Q14416 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
DHODH Q02127 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CYP1A2 P05177 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL20817390 0.87 NR1H4 (0.43) NR1H4NOTUMGABRB3GABRA2GABRB2
SCHEMBL1097054 0.86 NR1H4 (0.42) NR1H4NOTUMALDH1A1NPC1RAB9A
SCHEMBL22392841 0.83 NR1H4 (0.43) NR1H4NOTUMALDH1A1NPC1RAB9A
SCHEMBL28408582 0.80 NR1H4 (0.47) NR1H4NOTUMGPBAR1SLC22A12
SCHEMBL28408579 0.79 NR1H4 (0.47) NR1H4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20962531 0.79 NR1H4 (0.37) NR1H4NOTUMGABRB3GABRA2GABRB2
SCHEMBL20952033 0.78 NR1H4 (0.36) NR1H4NOTUMALDH1A1NPC1RAB9A
SCHEMBL497962 0.76 GABRB3 (0.47) NR1H4NOTUMGABRB3GABRA2GABRB2
SCHEMBL22407512 0.76 NR1H4 (0.41) NR1H4GPBAR1
SCHEMBL1095874 0.74 NR1H4 (0.42) NR1H4NOTUMGABRB2ALDH1A1NPC1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders ARDELYX, INC. (US) 2023-09-12 US disclosed
CN-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN disclosed
CN-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 CN disclosed
EP-3704107-B1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-12 EP disclosed
EP-3704106-B1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-12 EP disclosed
EP-3681881-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2022-11-02 EP disclosed
US-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-28 US disclosed
US-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-28 US disclosed
CN-111278817-A Polycyclic compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-06-12 CN disclosed
WO-2019055808-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2019-03-21 WO disclosed
WO-2019055808-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC MUTAGENIC AND FIBROTIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2019-03-21 WO disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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 (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-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, GPBAR1 NR1H4 1/4885NOTUM 3725/4885GABRB3 887/4885
US-11753410-B2 Hormone receptor modulators for treating metabolic mutagenic and fibrotic conditions and disorders NR1H4, FXR1, FXR2 NR1H4 1/4885NOTUM 4784/4885GABRB3 1637/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885NOTUM 847/4885GABRB3 448/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR1H4 1/4885NOTUM 585/4885GABRB3 554/4885

“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.