SCHEMBL1097296

SCHEMBL1097296

Clc1cccc(Cl)c1-n1ncc(C2CC2)c1CBr

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.40
MAPK14 Q16539 11/20 0.36
ALDH1A1 P00352 2/20 0.34
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
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
GRM2 Q14416 1/20 0.31
TRPV6 Q9H1D0 1/20 0.31
DHODH Q02127 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
SCHEMBL17839932 0.87 NR1H4 (0.41) NR1H4MAPK14ALDH1A1NPC1RAB9A
SCHEMBL1095874 0.86 NR1H4 (0.42) NR1H4MAPK14ALDH1A1NPC1RAB9A
SCHEMBL20833733 0.86 NR1H4 (0.40) NR1H4MAPK14ALDH1A1NPC1RAB9A
SCHEMBL2772447 0.81 NR1H4 (0.39) NR1H4MAPK14ALDH1A1NPC1RAB9A
SCHEMBL22392553 0.80 NR1H4 (0.41) NR1H4MAPK14ALDH1A1NPC1RAB9A
SCHEMBL28410381 0.79 NR1H4 (0.44) NR1H4MAPK14ALDH1A1NPC1RAB9A
SCHEMBL20833739 0.79 NR1H4 (0.42) NR1H4MAPK14GRM2DHODH
SCHEMBL20833799 0.79 NR1H4 (0.36) NR1H4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30807047 0.79 NR1H4 (0.36) NR1H4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20833800 0.78 NR1H4 (0.36) NR1H4ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3704106-B1 ALKENE COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-12 EP disclosed
EP-3704107-B1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-12 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
US-20210380578-A1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-12-09 US disclosed
US-20210380578-A1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-12-09 US disclosed
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 US disclosed
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-09 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2016-06-23 US disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO disclosed
WO-2016096115-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-06-23 WO 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
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

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-11370785-B2 Multicyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, GPBAR1 NR1H4 1/4885MAPK14 1548/4885ALDH1A1 2905/4885
US-20210380578-A1 MULTICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, GPBAR1 NR1H4 1/4885MAPK14 1548/4885ALDH1A1 2905/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 NR1H4 1/4885MAPK14 2336/4885ALDH1A1 2124/4885
US-11168079-B2 Alkene compounds as farnesoid x receptor modulators FXR1, NR1H2, NR1H4 NR1H4 3/4885MAPK14 1714/4885ALDH1A1 2224/4885
US-20160176861-A1 HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H3, NR1H2 NR1H4 1/4885MAPK14 2499/4885ALDH1A1 2674/4885

“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.