SCHEMBL1097117

SCHEMBL1097117

Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCCNCC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.56
FABP1 P07148 3/20 0.50
GPBAR1 Q8TDU6 1/20 0.49
FABP4 P15090 1/20 0.48
HSD17B13 Q7Z5P4 1/20 0.47

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
Hydrochloric Acid SCHEMBL1096131 0.99 NR1H4 (0.55) NR1H4FABP1GPBAR1FABP4HSD17B13
SCHEMBL1095590 0.96 NR1H4 (0.59) NR1H4FABP1GPBAR1FABP4HSD17B13
Hydrochloric Acid SCHEMBL1096206 0.95 NR1H4 (0.58) NR1H4FABP1GPBAR1FABP4HSD17B13
SCHEMBL21264346 0.90 NR1H4 (0.62) NR1H4FABP1GPBAR1FABP4HSD17B13
SCHEMBL21703707 0.90 NR1H4 (0.62) NR1H4FABP1GPBAR1FABP4HSD17B13
SCHEMBL22570854 0.89 NR1H4 (0.55) NR1H4FABP1GPBAR1FABP4HSD17B13
SCHEMBL25515551 0.89 NR1H4 (0.61) NR1H4FABP1GPBAR1FABP4HSD17B13
SCHEMBL24599092 0.88 NR1H4 (0.51) NR1H4
Hydrochloric Acid SCHEMBL29089586 0.87 NR1H4 (0.50) NR1H4
SCHEMBL24599036 0.86 NR1H4 (0.58) NR1H4FABP1FABP4HSD17B13

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4271377-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Terns Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
CN-116887827-A Compounds and methods for modulating FXR 拓臻制药公司 2023-10-13 CN disclosed
WO-2022147448-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. (US) 2022-07-07 WO disclosed
WO-2022147448-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. (US) 2022-07-07 WO disclosed
US-20220213083-A1 FXR SMALL MOLECULE AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF VAN ANDEL RESEARCH INSTITUTE 2022-07-07 US disclosed
WO-2020211872-A1 FXR SMALL MOLECULE AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2020-10-22 WO disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 WO disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 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 (2 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-20220213083-A1 FXR SMALL MOLECULE AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF FXR1, NR1H4, FXR2 NR1H4 2/4885FABP1 40/4885GPBAR1 4/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR1H4 1/4885FABP1 10/4885GPBAR1 5/4885

“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.