SCHEMBL5778334

SCHEMBL5778334

CC(=O)OCCc1ccc2c[c]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
APP P05067 2/20 0.36
YWHAG P61981 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
GRIN2D O15399 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
SCHEMBL6234805 0.94 CYP1A2 (0.38) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13034170 0.80 CYP1A2 (0.53) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6233836 0.79 SMN1; SMN2 (0.45) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL14070437 0.79 CYP1A2 (0.45) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL27558956 0.79 CYP1A2 (0.51) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13422217 0.78 PPARA (0.48) ALDH1A1
SCHEMBL27558951 0.78 MAOA (0.44) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL28141325 0.77 AKR1C3 (0.41) CYP1A2NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5775772 0.76 ALDH1A1 (0.41) NPC1MAPTRAB9ASMN1; SMN2TP53
SCHEMBL1369536 0.76 CNR1 (0.41) CYP1A2NPC1MAPTRAB9ASMN1; SMN2

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 8 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
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
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
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION 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 2821/4885NPC1 3866/4885MAPT 1330/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP1A2 1354/4885NPC1 1668/4885MAPT 3937/4885

“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.