SCHEMBL2665020

SCHEMBL2665020

Cc1ccc(OCC2CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.55
PARP10 Q53GL7 3/20 0.55
PARP2 Q9UGN5 2/20 0.55
TDP1 Q9NUW8 1/20 0.53
KDM1A O60341 1/20 0.50
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL8930160 1.00 PARP15 (0.55) PARP15PARP10PARP2TDP1KDM1A
Ammonia Solution, Strong SCHEMBL28413630 0.98 PARP15 (0.53) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL14451132 0.92 HPGD (0.52) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL11164865 0.92 PARP15 (0.57) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL18374444 0.92 PARP15 (0.57) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL17296955 0.91 PARP15 (0.47) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL16141973 0.91 PARP15 (0.51) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL81903 0.90 PARP15 (0.58) PARP15PARP10PARP2TDP1KDM1A
SCHEMBL29024848 0.89 PARP15 (0.64) PARP15PARP10PARP2TDP1SIGMAR1
SCHEMBL14570008 0.88 KDM1A (0.49) PARP15PARP10PARP2TDP1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3865475-A1 PROCESS FOR PREPARING PYRIDONE AMIDES WHICH ARE MODULATORS OF SODIUM CHANNELS AND INTERMEDIATE COMPOUNDS USED THEREIN Vertex Pharmaceuticals Incorporated (US) 2021-08-18 EP disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
EP-3819303-A1 GLYCOSIDE COMPOUND AND PREPARATION METHOD THEREFOR, COMPOSITION, APPLICATION, AND INTERMEDIATE Shanghai Hutchison Pharmaceuticals Limited (CN) 2021-05-12 EP disclosed
US-10981900-B2 Spiro compound and use thereof MEDSHINE DISCOVERY INC. (CN) 2021-04-20 US disclosed
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed
US-20200048235-A1 SPIRO COMPOUND AND USE THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-02-13 US disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2017214505-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2017-12-14 WO disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
WO-2009158473-A1 5- AND 6-MEMBERED HETEROCYCLIC COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 WO disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
EP-1801619-A2 Substrate, method for producing the same, and patterning process using the same Shin-Etsu Chemical Co., Ltd. (JP) 2007-06-27 EP disclosed
US-20070037894-A1 Multifunctional menomers and polyarylene compsotions therefrom HAHNFELD JERRY L 2007-02-15 US disclosed
US-20070037894-A1 Multifunctional menomers and polyarylene compsotions therefrom HAHNFELD JERRY L 2007-02-15 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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 (6 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-20200048235-A1 SPIRO COMPOUND AND USE THEREOF S1PR1, S1PR2, S1PR3 PARP15 2168/4885PARP10 2050/4885PARP2 2337/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 PARP15 3048/4885PARP10 2746/4885PARP2 3199/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 PARP15 1781/4885PARP10 2376/4885PARP2 2187/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 PARP15 1899/4885PARP10 1526/4885PARP2 4098/4885
US-10981900-B2 Spiro compound and use thereof S1PR1, S1PR2, S1PR3 PARP15 2168/4885PARP10 2050/4885PARP2 2337/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 PARP15 1755/4885PARP10 1867/4885PARP2 2530/4885

“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.