SCHEMBL2670935

SCHEMBL2670935

COC(=O)c1cc(OC)nc(C2CCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
KDM4E B2RXH2 2/20 0.63
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
HSD17B10 Q99714 1/20 0.40
KDM5A P29375 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL4600423 0.94 ALDH1A1 (0.67) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL1425163 0.87 ALDH1A1 (0.47) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL2671247 0.85 ALDH1A1 (0.42) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL24860844 0.85 TAS1R3 (0.44) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL2670654 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL2670740 0.85 TAS1R3 (0.47) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL16706128 0.84 KDM5A (0.53) ALDH1A1KDM4EHSD17B10KDM5ACA12
SCHEMBL15535692 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KDM5ACA12
SCHEMBL15535176 0.82 TDP1 (0.47) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL2671085 0.80 S1PR1 (0.38) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015743-A1 MEDIATED HYDROGEN ANODE FOR USE IN REDUCTIVE ELECTROSYNTHESIS WISCONSIN ALUMNI RES FOUND (US) 2026-01-15 US disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2023-09-19 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-04-27 US disclosed
EP-4116294-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-01-11 EP disclosed
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3492465-B1 S1P1 AGONIST AND APPLICATION THEREOF SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-03-24 EP disclosed
US-9133179-B2 2-methoxy-pyridin-4-yl-derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2015-09-15 US disclosed
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID ACTELION PHARMACEUTICALS LTD. (CH) 2015-05-14 US disclosed
CN-102471328-B Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD 2015-04-01 CN disclosed
US-8658675-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-25 US disclosed
EP-2665720-A1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-11-27 EP disclosed
US-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-14 US disclosed
EP-2454255-B1 PYRIDIN-4-YL DERIVATIVES AS S1P1/EDG1 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
WO-2012098505-A1 2-METHOXY-PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-26 WO disclosed
EP-2454255-A1 PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-05-23 EP disclosed
US-20120108638-A1 PYRIDIN-4-YL DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-05-03 US disclosed
WO-2011007324-A1 PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-01-20 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 (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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 ALDH1A1 2418/4885KDM4E 3986/4885TAS1R3 1509/4885
US-20120108638-A1 PYRIDIN-4-YL DERIVATIVES CD4, IL4, FCGRT ALDH1A1 958/4885KDM4E 629/4885TAS1R3 2970/4885
US-20260015743-A1 MEDIATED HYDROGEN ANODE FOR USE IN REDUCTIVE ELECTROSYNTHESIS HAO2, HACL2, HVCN1 ALDH1A1 246/4885KDM4E 3823/4885TAS1R3 3552/4885
US-20130303514-A1 2-METHOXY-PYRIDIN-4-YL-DERIVATIVES CD4, IL2, IL4 ALDH1A1 797/4885KDM4E 271/4885TAS1R3 3493/4885
US-20230126480-A1 BENZO 2-AZASPIRO[4.4]NONANE COMPOUND AND USE THEREOF AZI2, GABBR2, CNDP2 ALDH1A1 284/4885KDM4E 547/4885TAS1R3 3841/4885
US-20150133669-A1 NEW PROCESS FOR THE PREPARATION OF 2-CYCLOPENTYL-6-METHOXY-ISONICOTINIC ACID IMPDH1, IMPDH2, ITPA ALDH1A1 631/4885KDM4E 1225/4885TAS1R3 4460/4885
US-11760751-B2 Benzo 2-azaspiro[4.4]nonane compound and use thereof AZI2, GABBR2, CNDP2 ALDH1A1 284/4885KDM4E 547/4885TAS1R3 3841/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 ALDH1A1 2418/4885KDM4E 3986/4885TAS1R3 1509/4885

“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.