SCHEMBL1097358

SCHEMBL1097358

O=C(O)c1ccc(N2CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)nc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.70
CYP3A4 P08684 1/20 0.62
CYP2C8 P10632 1/20 0.62
GPBAR1 Q8TDU6 1/20 0.60

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
SCHEMBL29692068 0.91 NR1H4 (0.61) NR1H4CYP3A4CYP2C8GPBAR1
SCHEMBL24599004 0.91 NR1H4 (0.61) NR1H4CYP3A4CYP2C8GPBAR1
SCHEMBL29692153 0.91 NR1H4 (0.61) NR1H4CYP3A4CYP2C8GPBAR1
SCHEMBL27192273 0.91 NR1H4 (0.61) NR1H4CYP3A4CYP2C8GPBAR1
SCHEMBL20031112 0.90 NR1H4 (0.73) NR1H4
SCHEMBL20031239 0.90 NR1H4 (0.73) NR1H4
SCHEMBL20031307 0.90 NR1H4 (0.73) NR1H4
SCHEMBL22578450 0.88 NR1H4 (0.82) NR1H4GPBAR1
SCHEMBL1096304 0.88 NR1H4 (0.81) NR1H4GPBAR1
SCHEMBL29692122 0.88 NR1H4 (0.57) NR1H4CYP3A4CYP2C8GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210244744-A1 TREATING LIVER DISORDERS Terns, Inc. 2021-08-12 US claimed
CN-112771026-A Treating liver disorders 拓臻制药公司 2021-05-07 CN claimed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US claimed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP claimed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US claimed
US-20210244744-A1 TREATING LIVER DISORDERS Terns, Inc. 2021-08-12 US disclosed
CN-112771026-A Treating liver disorders 拓臻制药公司 2021-05-07 CN disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP 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-20210244744-A1 TREATING LIVER DISORDERS FABP1, CPT1A, GOT2 NR1H4 19/4885CYP3A4 458/4885CYP2C8 232/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR1H4 1/4885CYP3A4 494/4885CYP2C8 459/4885

“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.