SCHEMBL5075724

SCHEMBL5075724

Cc1ccc(OCCC(N)=O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDIA6 Q15084 1/20 0.45

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
SCHEMBL3723832 0.84 L3MBTL1 (0.66) HPGDATMMAPK1RAB9AL3MBTL1
SCHEMBL30601983 0.82 ATM (0.58) HPGDATMALDH1A1RAB9AMAPT
SCHEMBL1478030 0.82 ATM (0.58) HPGDATMALDH1A1RAB9AMAPT
SCHEMBL881471 0.80 L3MBTL1 (0.70) HPGDRAB9AL3MBTL1NPC1
SCHEMBL6321351 0.80 HPGD (0.54) HPGDALDH1A1MAPK1RAB9AL3MBTL1
SCHEMBL3177267 0.79 TSHR (0.61) HPGDRAB9AMAPTL3MBTL1NPC1
SCHEMBL13527391 0.79 HPGD (0.50) HPGDATMALDH1A1MAPK1RAB9A
SCHEMBL3763682 0.79 DRD2 (0.58) HPGDATMALDH1A1MAPK1RAB9A
SCHEMBL22273011 0.79 PDIA6 (0.45) L3MBTL1PDK2PDIA6
SCHEMBL14455187 0.78 TSHR (0.55) HPGDMAPTL3MBTL1MCL1DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 — — US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 — — 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 (1 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-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE HPGD 261/4885ATM 4622/4885ALDH1A1 391/4885

“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.

Send feedback