SCHEMBL18580977

SCHEMBL18580977

COC(=O)C1CN(c2cccc(Br)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
NOTUM Q6P988 3/20 0.42
ALOX5 P09917 1/20 0.42
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GHSR Q92847 1/20 0.40
NPY5R Q15761 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL3345705 0.89 NOTUM (0.53) SLC6A4SLC6A3NOTUMNPY5RTRPV1
SCHEMBL3452628 0.87 NOTUM (0.45) NOTUMTSHRNPY5RALDH1A1SMN1; SMN2
SCHEMBL23380315 0.86 MAPT (0.53) SLC6A4SLC6A3NOTUMNPSR1NPY5R
SCHEMBL18581257 0.85 ALDH1A1 (0.46) NOTUMTSHRALDH1A1MEN1KMT2A
SCHEMBL25983414 0.84 NOTUM (0.59) NOTUMALOX5ALDH1A1SMN1; SMN2MEN1
SCHEMBL25605317 0.82 ALOX5 (0.39) NOTUMALOX5TSHRNPSR1GHSR
SCHEMBL29237347 0.82 SLC6A2 (0.42) SLC6A4SLC6A3NOTUMNAMPTMGLL
SCHEMBL30217172 0.82 SLC6A2 (0.42) SLC6A4SLC6A3NOTUMNAMPTMGLL
SCHEMBL22804336 0.81 ALDH1A1 (0.49) SLC6A4SLC6A3NAMPTALDH1A1HTT
SCHEMBL17026816 0.81 NOTUM (0.54) NOTUMALOX5TRPV1ALDH1A1MEN1

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 16 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
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 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-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
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
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
EP-3814331-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY Phenex-FXR GmbH (DE) 2021-05-05 EP disclosed
CN-112689630-A Novel LXR modulators with bicyclic core moieties 菲尼克斯-FXR股份有限公司 2021-04-20 CN disclosed
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS INVENTIVA (FR) 2017-03-09 US 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 2749/4885NOTUM 3180/4885
US-11618747-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 SLC6A4 2766/4885SLC6A3 4458/4885NOTUM 2463/4885
US-12291523-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 SLC6A4 2595/4885SLC6A3 3203/4885NOTUM 2949/4885
US-20170066717-A1 NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS NCOR1, NCOR2, NCOA1 SLC6A4 2024/4885SLC6A3 2237/4885NOTUM 4408/4885
US-11970484-B2 LXR modulators with bicyclic core moiety NR1H2, NR1H3, NR1H4 SLC6A4 2766/4885SLC6A3 4458/4885NOTUM 2463/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 SLC6A4 2612/4885SLC6A3 4309/4885NOTUM 2359/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 SLC6A4 2612/4885SLC6A3 4309/4885NOTUM 2359/4885

“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.