SCHEMBL4717140

SCHEMBL4717140

COC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.57
SLC6A3 Q01959 3/20 0.57
KDM1A O60341 2/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC9A1 P19634 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
HDAC4 P56524 2/20 0.44
IDO1 P14902 2/20 0.43
ATM Q13315 1/20 0.43
SLC6A2 P23975 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4717135 1.00 SLC6A4 (0.57) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL25602859 1.00 SLC6A4 (0.57) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL30805855 1.00 SLC6A4 (0.57) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL31320831 0.84 TSHR (0.48) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL13310394 0.84 HRH3 (0.47) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL25456799 0.84 TSHR (0.48) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL3390351 0.84 HRH3 (0.47) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL4134712 0.84 TSHR (0.48) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL30967761 0.84 TSHR (0.48) SLC6A4SLC6A3KDM1AHRH3TSHR
SCHEMBL29237753 0.84 TSHR (0.48) SLC6A4SLC6A3KDM1AHRH3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291523-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2025-05-06 US disclosed
US-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO, INC. 2024-09-26 US disclosed
US-11970484-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2024-04-30 US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
EP-3814331-B9 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-08-09 EP disclosed
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP disclosed
US-11618747-B2 LXR modulators with bicyclic core moiety ORSOBIO, INC. (US) 2023-04-04 US disclosed
EP-1565464-B1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-07-23 EP disclosed
US-7342024-B2 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROST CANADA LTD. (CA) 2008-03-11 US disclosed
US-7238706-B2 4-oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US disclosed
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-03-16 US disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 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 (7 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-20240317726-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NCOA3 SLC6A4 2320/4885SLC6A3 2749/4885KDM1A 2603/4885
US-11618747-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 SLC6A4 2766/4885SLC6A3 4458/4885KDM1A 2253/4885
US-12291523-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 SLC6A4 2595/4885SLC6A3 3203/4885KDM1A 2474/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 SLC6A4 2766/4885SLC6A3 4458/4885KDM1A 2253/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 SLC6A4 2612/4885SLC6A3 4309/4885KDM1A 2432/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 SLC6A4 1268/4885SLC6A3 2344/4885KDM1A 576/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 SLC6A4 1094/4885SLC6A3 2075/4885KDM1A 266/4885

“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.