SCHEMBL22494

SCHEMBL22494

N#CCOc1cc[c]cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH2 P05091 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.35
GPR119 Q8TDV5 1/20 0.33
POLB P06746 1/20 0.32
MAOB P27338 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL122928 0.79 CA12 (0.48) GAAALDH1A1KDM4EGLAHSD17B10
SCHEMBL7770588 0.79 GAA (0.56) GAAALDH1A1
SCHEMBL30753819 0.78 KCNA3 (0.50) SMN1; SMN2ALDH1A1FFAR1MAOB
SCHEMBL30753820 0.78 KCNA3 (0.50) SMN1; SMN2ALDH1A1FFAR1MAOB
SCHEMBL180023 0.78 KCNA3 (0.50) SMN1; SMN2ALDH1A1FFAR1MAOB
SCHEMBL27559192 0.77 GAA (0.46) GAAL3MBTL1
SCHEMBL6574222 0.76 MAOB (0.53) ALDH1A1MAOBCA12CA1CA9
SCHEMBL9155604 0.76 KCNH2 (0.40) ALDH1A1KDM4ECA12CA1CA9
SCHEMBL920519 0.76 ADAM17 (0.46)
SCHEMBL2061077 0.74 TDP1 (0.52) SYKGAASMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
CN-103180317-B Heteroarylpiperidine and piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-23 CN claimed
US-9139546-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2015-09-22 US claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
US-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-09-22 US claimed
EP-2361902-A1 4,6-DIAMINONICOTINAMIDE COMPOUND Astellas Pharma Inc. (JP) 2011-08-31 EP claimed
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-08-25 US claimed
US-7888365-B2 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-02-15 US claimed
EP-2131655-A2 TRI-ARYL/HETEROAROMATIC CANNABINOIDS AND USE THEREOF The University of Tennessee Research Foundation (US) 2009-12-16 EP claimed
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-09-25 US claimed
WO-2008109027-A2 TRI-ARYL/HETEROAROAROMATIC CANNABINOIDS AND USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION, THE (US) 2008-09-12 WO claimed
WO-2023152042-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2023-08-17 WO disclosed
EP-4017591-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-29 EP disclosed
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
EP-0758650-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-19 EP disclosed
EP-0757039-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-02-05 EP disclosed
EP-0755934-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-01-29 EP disclosed
WO-1997000859-A1 THIOAMIDES S-OXIDES FOR USE AS PESTICIDES NOVARTIS AG (CH) 1997-01-09 WO disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 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 (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-20110230467-A1 4,6-DIAMINONICOTINAMIDE COMPOUND JAK3, JAK2, JAK1 SYK 492/4885GAA 1793/4885SMN1; SMN2 3735/4885
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR4A1 SYK 3950/4885GAA 4846/4885SMN1; SMN2 3900/4885
US-20080234293-A1 Tri-aryl/heteroaromatic cannabinoids and use thereof CNR1, CNR2, OPRM1 SYK 1972/4885GAA 3655/4885SMN1; SMN2 4721/4885
US-20110207748-A1 Tri-Aryl/Heteroaromatic Cannabinoids and Use Thereof CNR1, CNR2, OPRM1 SYK 1972/4885GAA 3655/4885SMN1; SMN2 4721/4885

“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.