SCHEMBL852680

SCHEMBL852680

COC(=O)CCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.64
SPR P35270 4/20 0.64
KDM4E B2RXH2 3/20 0.64
CYP2D6 P10635 3/20 0.64
ALDH1A1 P00352 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
IDO1 P14902 1/20 0.64
BLM P54132 1/20 0.64
NOTUM Q6P988 1/20 0.64
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTR2C P28335 5/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
HTR1A P08908 3/20 0.58
HTR2A P28223 3/20 0.58
HTR1D P28221 3/20 0.58

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
SCHEMBL15323543 0.89 HTR2C (0.58) NPSR1SPRKDM4ECYP2D6ALDH1A1
SCHEMBL853660 0.86 CYP2D6 (0.60) NPSR1SPRKDM4ECYP2D6ALDH1A1
SCHEMBL853729 0.86 NPSR1 (0.68) NPSR1SPRKDM4ECYP2D6ALDH1A1
SCHEMBL351449 0.85 MPO (0.69) SPRNOTUMKMT2AHTR1AHTR2A
SCHEMBL351519 0.85 MTNR1A (0.64) IDO1MEN1KMT2AHTR2ATSHR
SCHEMBL3030323 0.85 MTNR1A (0.64) KDM4ECYP2D6ALDH1A1CYP1A2CYP3A4
SCHEMBL3018752 0.85 MTNR1A (0.70) NPSR1KDM4ECYP2D6ALDH1A1CYP1A2
SCHEMBL1723364 0.82 NPSR1 (0.72) NPSR1SPRKDM4ECYP2D6ALDH1A1
SCHEMBL4605998 0.82 NR4A2 (0.60) MAPTHPGDTDP1MEN1KMT2A
SCHEMBL4347796 0.82 SLC6A4 (0.57) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-9499484-B2 Indole, indoline derivatives, compositions comprising them and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2016-11-22 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
US-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2015-03-26 US disclosed
EP-2847165-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2015-03-18 EP disclosed
WO-2013150529-A2 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2013-10-10 WO disclosed
EP-1425010-B8 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS JANSSEN PHARMACEUTICALS INC (US) 2012-03-28 EP disclosed
EP-1425010-B1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS ORTHO MCNEIL PHARM INC (US) 2011-10-26 EP disclosed
US-7241789-B2 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) 2007-07-10 US disclosed
US-20050250771-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-11-10 US disclosed
US-20050209225-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2005-09-22 US disclosed
US-6855722-B2 Substituted indoles and their use as integrin antagonists DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-02-15 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
EP-1425010-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-06-09 EP disclosed
EP-1423363-A1 ORAL ANTIDIABETIC AGENTS Warner-Lambert Company LLC (US) 2004-06-02 EP disclosed
WO-2003018553-A1 ORAL ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2003-03-06 WO disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 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-20150087617-A1 INDOLE, INDOLINE DERIVATIVES, COMPOSITIONS COMPRISING THEM AND USES THEREOF IDO1, INMT, IDO2 NPSR1 615/4885SPR 621/4885KDM4E 973/4885
US-20050209225-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 NPSR1 218/4885SPR 1112/4885KDM4E 1764/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 NPSR1 286/4885SPR 994/4885KDM4E 1966/4885
US-20050250771-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGA5, ITGB5 NPSR1 249/4885SPR 1132/4885KDM4E 1782/4885

“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.