SCHEMBL5801112

SCHEMBL5801112

NC(=O)CN1C(=O)CCc2cc[c]cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
TP53 P04637 3/20 0.38
POLB P06746 3/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.36
DRD2 P14416 6/20 0.36
DRD4 P21917 6/20 0.36
DRD3 P35462 6/20 0.36
ATAD2 Q6PL18 1/20 0.35
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 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
SCHEMBL6233920 0.89 MAPT (0.38) MAPTTP53POLBTHRBLMNA
SCHEMBL6720008 0.82 LMNA (0.43) MAPTTP53POLBTHRBLMNA
SCHEMBL6712019 0.80 LMNA (0.47) POLBLMNARAB9ACYP2C19ALDH1A1
SCHEMBL3785481 0.79 POLB (0.58) MAPTTP53POLBTHRBLMNA
SCHEMBL6232112 0.78 DRD2 (0.47) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6233572 0.76 ALDH1A1 (0.38) MAPTTP53POLBDRD2DRD4
SCHEMBL6231492 0.76 MEN1 (0.44) MAPTTP53POLBTHRBDRD2
SCHEMBL6234100 0.76 NOTUM (0.40) MAPTTP53DRD2DRD4DRD3
SCHEMBL5800838 0.74 TSHR (0.47) MAPTTSHRKDM4EALDH1A1CHRM2
SCHEMBL6715236 0.72 DRD2 (0.42) DRD2DRD4DRD3CHRM2CHRM4

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 10 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
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS 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
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 MAPT 1330/4885TP53 4727/4885POLB 1242/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 MAPT 3937/4885TP53 4567/4885POLB 2221/4885

“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.