SCHEMBL3345705

SCHEMBL3345705

COC(=O)C1CCN(c2cccc(Br)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.53
HSD11B1 P28845 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
MAPT P10636 1/20 0.45
NPY5R Q15761 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
PDK2 Q15119 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL3452628 0.92 NOTUM (0.45) NOTUMHSD11B1MAPTNPY5RSMN1; SMN2
SCHEMBL23380315 0.92 MAPT (0.53) NOTUMTRPV1MAPTNPY5RSMN1; SMN2
SCHEMBL18580977 0.89 SLC6A4 (0.42) NOTUMTRPV1NPY5RSMN1; SMN2ALDH1A1
SCHEMBL14691021 0.85 NOTUM (0.71) NOTUMHSD11B1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13420777 0.83 NOTUM (0.72) NOTUM
SCHEMBL24435477 0.83 NOTUM (0.69) NOTUMMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL892980 0.83 NOTUM (0.69) NOTUMMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL2552991 0.82 NOTUM (0.51) NOTUMHSD11B1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14322637 0.82 NOTUM (0.56) NOTUMTRPV1NPY5RPDK2
SCHEMBL25174416 0.81 NOTUM (0.73) NOTUMHSD11B1TRPV1MAPTSMN1; 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
EP-2723741-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2016-04-27 EP disclosed
EP-2723741-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2016-04-27 EP disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
US-8962619-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2015-02-24 US disclosed
WO-2012177844-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE, INC. (US) 2012-12-27 WO disclosed
WO-2012177844-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE, INC. (US) 2012-12-27 WO disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ArQuele, Inc. (US) 2012-12-27 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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 (4 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD NOTUM 831/4885HSD11B1 642/4885TRPV1 1016/4885
US-20120329791-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 NOTUM 3885/4885HSD11B1 4278/4885TRPV1 1180/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 NOTUM 2359/4885HSD11B1 175/4885TRPV1 1315/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 NOTUM 2359/4885HSD11B1 175/4885TRPV1 1315/4885

“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.