SCHEMBL6234805

SCHEMBL6234805

CC(=O)OCCc1ccc2cc[c]cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 3/20 0.36
YWHAG P61981 1/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CA2 P00918 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
RAD52 P43351 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5778334 0.94 CYP1A2 (0.41) CYP1A2CYP3A4KDM4ENPC1LMNA
SCHEMBL13034170 0.80 CYP1A2 (0.53) CYP1A2CYP3A4KDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL27558956 0.79 CYP1A2 (0.51) CYP1A2CYP3A4KDM4ENPC1LMNA
SCHEMBL5776297 0.78 CYP1A2 (0.41) CYP1A2CYP3A4KDM4ENPC1LMNA
SCHEMBL5775772 0.76 ALDH1A1 (0.41) CYP3A4NPC1TP53MAPTRAB9A
SCHEMBL6233836 0.76 SMN1; SMN2 (0.45) CYP1A2CYP3A4KDM4ENPC1LMNA
SCHEMBL14070437 0.76 CYP1A2 (0.45) CYP1A2CYP3A4KDM4ENPC1LMNA
SCHEMBL1371560 0.75 CNR1 (0.40) CYP1A2CA2
SCHEMBL27558951 0.75 MAOA (0.44) CYP1A2CYP3A4KDM4ENPC1LMNA
SCHEMBL5779915 0.74 HTT (0.33) CYP1A2KDM4ENPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (2 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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN CYP1A2 2821/4885CYP3A4 2949/4885KDM4E 1803/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP1A2 1354/4885CYP3A4 1308/4885KDM4E 3296/4885

“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.