SCHEMBL1379607

SCHEMBL1379607

O=C(O)CC1CC[CH]CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 6/20 0.45
SLC6A11 P48066 6/20 0.45
SLC6A13 Q9NSD5 6/20 0.45
SLC6A1 P30531 3/20 0.45
GABRA5 P31644 3/20 0.45
GABRB2 P47870 3/20 0.45
GABRA1 P14867 2/20 0.45
GABRR1 P24046 2/20 0.45
GABRA4 P48169 2/20 0.45
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
FFAR4 Q5NUL3 6/20 0.37
FFAR1 O14842 1/20 0.37
HSD11B1 P28845 1/20 0.33

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
SCHEMBL5957597 0.88
SCHEMBL7072429 0.85 SLC6A12 (0.45) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL1493230 0.81 ANPEP (0.56) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL74792 0.81
SCHEMBL431287 0.81 ANPEP (0.56) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL24197646 0.81 ANPEP (0.56) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL28300354 0.81 ANPEP (0.56) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL24483431 0.81 ANPEP (0.56) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
Hydrochloric Acid SCHEMBL8681566 0.78
SCHEMBL15771317 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US claimed
CN-110582493-A Benzoxazole derivatives as immunomodulators 因赛特公司 2019-12-17 CN claimed
EP-3558985-A1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS Incyte Corporation (US) 2019-10-30 EP claimed
WO-2018119266-A1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 WO claimed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US claimed
JP-4796567-B2 2011-10-19 JP claimed
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US claimed
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 US claimed
EP-2108648-A1 Selected CGRP antagonists, method for their manufacture and use as medicines Boehringer Ingelheim International GmbH (DE) 2009-10-14 EP claimed
EP-1732917-B8 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2009-09-09 EP claimed
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-09 US claimed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US claimed
US-7479488-B2 Selected CGRP—antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-20 US claimed
US-7217702-B2 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2007-05-15 US claimed
EP-1740587-A2 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS Adenosine Therapeutics, LLC (US) 2007-01-10 EP claimed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 EP claimed
US-20050282831-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2005-12-22 US claimed
WO-2005097140-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2005-10-20 WO claimed
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 WO claimed

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

For each of this compound's patents that has machine-readable text (8 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-20050282831-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA2B, ADORA3 SLC6A12 2040/4885SLC6A11 1177/4885SLC6A13 926/4885
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS SLC6A12 4872/4885SLC6A11 4184/4885SLC6A13 4386/4885
US-20090176770-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SLC6A12 1278/4885SLC6A11 297/4885SLC6A13 545/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B SLC6A12 2628/4885SLC6A11 3048/4885SLC6A13 3229/4885
US-20050234067-A1 Selected CGRP - antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SLC6A12 1191/4885SLC6A11 294/4885SLC6A13 544/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 SLC6A12 2769/4885SLC6A11 2533/4885SLC6A13 2837/4885
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS SLC6A12 4872/4885SLC6A11 4184/4885SLC6A13 4386/4885
US-20100249114-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SLC6A12 1278/4885SLC6A11 297/4885SLC6A13 545/4885

“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.