SCHEMBL2735120

SCHEMBL2735120

CC(C)c1cccc2c1OCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.47
SLC6A2 P23975 4/20 0.39
GABRA1 P14867 3/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 2/20 0.39
HTR2C P28335 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL13532967 0.89 PARP1 (0.38) PARP1SLC6A2GABRA1GABRG2GABRB3
SCHEMBL19682340 0.85 PARP1 (0.45) PARP1SLC6A2HTR2CSLC6A4KCNH2
SCHEMBL26462964 0.85 PARP1 (0.45) PARP1SLC6A2HTR2CSLC6A4KCNH2
SCHEMBL24469475 0.85 PARP1 (0.49) PARP1SLC6A2HTR2CLMNACYP1A2
SCHEMBL3364105 0.85 PARP1 (0.49) PARP1SLC6A2GABRA1GABRG2GABRB3
SCHEMBL14031976 0.84 GABRA1 (0.41) PARP1SLC6A2GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL29042929 0.84 PARP1 (0.47) PARP1SLC6A2LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL29042928 0.84 PARP1 (0.47) PARP1SLC6A2LMNACYP1A2CYP3A4
SCHEMBL13179976 0.82 PARP1 (0.42) PARP1SLC6A2HTR2CTSHRSLC6A4
SCHEMBL19121348 0.82 PARP1 (0.42) PARP1SLC6A2HTR2CTSHRSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF LIFEARC (GB) 2024-06-27 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024112830-A1 INHIBITORS OF SOLUTE CARRIER FAMILY 6A MEMBER 19 (SLC6A19) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20090124612-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-20090124609-A1 Fused heterocyclic derivatives and methods of use AMGEN INC. (US) 2009-05-14 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
US-20080255118-A1 Cyanopyrimidinones BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (11 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 PARP1 43/4885SLC6A2 2624/4885GABRA1 3342/4885
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 PARP1 755/4885SLC6A2 1216/4885GABRA1 3298/4885
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PARP1 73/4885SLC6A2 4533/4885GABRA1 4260/4885
US-20090124612-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET PARP1 1457/4885SLC6A2 4034/4885GABRA1 2292/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PARP1 73/4885SLC6A2 4533/4885GABRA1 4260/4885
US-11845715-B2 NLRP3, PYCARD, NOD1 PARP1 3601/4885SLC6A2 4307/4885GABRA1 3219/4885
US-20240208934-A1 ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 PARP1 349/4885SLC6A2 4303/4885GABRA1 2388/4885
US-20080255118-A1 Cyanopyrimidinones CACYBP, CHRM4, CHRNA4 PARP1 1751/4885SLC6A2 768/4885GABRA1 330/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 PARP1 1089/4885SLC6A2 3161/4885GABRA1 2080/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 PARP1 2973/4885SLC6A2 2914/4885GABRA1 3387/4885
US-20090124609-A1 Fused heterocyclic derivatives and methods of use HGF, HGFAC, MET PARP1 1457/4885SLC6A2 4034/4885GABRA1 2292/4885

“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.