SCHEMBL6619709

SCHEMBL6619709

COC(=O)CCc1c[nH]c2cccc(O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 10/20 0.63
▸ HTR2C P28335 7/20 0.58
▸ HTR2B P41595 6/20 0.58
▸ HTR1A P08908 2/20 0.58
▸ HTR6 P50406 2/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ HTR1D P28221 1/20 0.58
▸ HTR1B P28222 1/20 0.58
▸ HTR1E P28566 1/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ ADORA2B P29275 1/20 0.58
▸ HTR7 P34969 1/20 0.58
▸ DRD3 P35462 1/20 0.58
▸ HTR5A P47898 1/20 0.58
▸ GAA P10253 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57

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
SCHEMBL15323836 0.82 GAA (0.72) HTR2AHTR2CHTR2BHTR1AHTR6
Methyl 3-(3-Indolylmethyl)Propanoate SCHEMBL290808 0.81 MAPT (0.71) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL25082433 0.80 HTR2A (0.66) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL25874897 0.79 HTR2A (0.64) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL15324256 0.79 SMN1; SMN2 (0.52) HTR2AHTR6GAAMEN1MAPT
SCHEMBL15324144 0.79 MTNR1A (0.52) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL6617210 0.79 HTR2A (0.66) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL15323187 0.78 MTNR1A (0.51) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL29557008 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL12352648 0.78 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AHTR6

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-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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 HTR2A 12/4885HTR2C 33/4885HTR2B 99/4885

“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.

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