SCHEMBL5773085

SCHEMBL5773085

CC(=O)NCCN1C(=O)COc2cc[c]cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 3/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM1 P11229 1/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 4/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SCD O00767 1/20 0.41
KMO O15229 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLK1 P53350 1/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5799939 0.81 KMT2A (0.47) CYP3A4CYP2C9CYP2C19POLBHSD17B10
SCHEMBL10183128 0.81 CYP3A4 (0.64) CYP3A4CYP2C9CYP2C19POLBTP53
SCHEMBL5799928 0.81 MEN1 (0.45) POLBHSD17B10TSHRKMOALDH1A1
SCHEMBL1114897 0.80 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19POLBCHRM1
SCHEMBL5800184 0.79 KMT2A (0.54) CYP3A4CYP2C19POLBTP53TSHR
SCHEMBL20719709 0.79 KMT2A (0.41) TP53TSHRKMOALDH1A1KMT2A
SCHEMBL6231492 0.78 MEN1 (0.44) POLBCHRM1TP53MTNR1AMTNR1B
SCHEMBL4603321 0.77 TSHR (0.45) POLBHSD17B10TSHRKMOALDH1A1
SCHEMBL1115095 0.76 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19POLBTP53
SCHEMBL8265361 0.75 SCD (0.50) CYP3A4CYP2C9CYP2C19POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP claimed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO claimed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO 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 CYP3A4 2949/4885CYP2C9 2438/4885CYP2C19 2895/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 CYP3A4 1308/4885CYP2C9 2250/4885CYP2C19 1607/4885

“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.