SCHEMBL3052285

SCHEMBL3052285

Ic1c[nH]c2cccc(OCc3ccccc3)c12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.59
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SRD5A2 P31213 1/20 0.44
LTA4H P09960 1/20 0.43
PLA2G2A P14555 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
DCPS Q96C86 1/20 0.43
MAOB P27338 1/20 0.43
SGMS2 Q8NHU3 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
LIPE Q05469 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL28374945 0.86 HTR2A (0.63) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL1013397 0.82 HTR2A (0.62) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28167742 0.82 HTR2A (0.62) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL23805297 0.79 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL11068196 0.79 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL11263785 0.79 HTR2A (0.67) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL1419107 0.78 HTR2A (0.55) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28030157 0.78 HTR2A (0.58) HTR2AMAPTMAPK1TDP1L3MBTL1
SCHEMBL7390324 0.78 HTR2A (0.55) HTR2ASRD5A2SGMS2
SCHEMBL29954497 0.78 HTR2A (0.55) HTR2AMAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159502-A1 INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
CN-115916748-A Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4132908-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-15 EP disclosed
WO-2021203023-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
US-7820630-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-26 US disclosed
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2010-01-14 US disclosed
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES BEAVERS MARY PAT 2009-04-23 US disclosed
US-7511022-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060293251-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-28 US disclosed
US-7129220-B2 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V (BE) 2006-10-31 US disclosed
US-20050037981-A1 Substituted indole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-17 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 (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-20230159502-A1 INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 HTR2A 1130/4885MAPT 857/4885MAPK1 2014/4885
US-20100009900-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP HTR2A 168/4885MAPT 3710/4885MAPK1 4019/4885
US-20090105164-A1 SUBSTITUTED INDOLE-O-GLUCOSIDES GPR119, PYGL, IAPP HTR2A 168/4885MAPT 3710/4885MAPK1 4019/4885
US-20050037981-A1 Substituted indole-O-glucosides GPR119, PYGL, IAPP HTR2A 168/4885MAPT 3710/4885MAPK1 4019/4885
US-20060293251-A1 Substituted indazole-O-glucosides GPR119, PYGL, GYS2 HTR2A 1089/4885MAPT 3724/4885MAPK1 3374/4885

“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.