SCHEMBL4602089

SCHEMBL4602089

COCCCN1C(=O)COc2cc[c]cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.49
TSHR P16473 1/20 0.48
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
MCHR1 Q99705 1/20 0.44
SMPD1 P17405 1/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 5/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 1/20 0.40
THRB P10828 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4603321 0.92 TSHR (0.45) RENTSHRDRD2HTR2AMCHR1
SCHEMBL13618147 0.83 DRD2 (0.61) RENTSHRDRD2HTR2AMCHR1
SCHEMBL20719709 0.81 KMT2A (0.41) TSHRTP53L3MBTL1MEN1KMT2A
SCHEMBL5799939 0.80 KMT2A (0.47) TSHRPOLBTP53HSD17B10MAPT
SCHEMBL5799928 0.80 MEN1 (0.45) TSHRKDM4EPOLBHSD17B10L3MBTL1
SCHEMBL89401 0.80 TSHR (0.71) RENTSHRPOLBTP53THRB
SCHEMBL1047741 0.80 REN (0.57) RENTSHRDRD2HTR2AMCHR1
SCHEMBL5800184 0.79 KMT2A (0.54) TSHRKDM4EPOLBTP53MEN1
SCHEMBL6721804 0.79 REN (0.56) RENTSHRDRD2HTR2AMCHR1
SCHEMBL6508989 0.79 REN (0.56) RENTSHRDRD2HTR2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US claimed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP claimed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO claimed
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
US-20080242662-A1 Organic Compounds NIHONYANAGI ATSUKO 2008-10-02 US disclosed
EP-1915366-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS Novartis AG (CH) 2008-04-30 EP disclosed
WO-2006128659-A2 PIPERAZINE DERIVATIVE RENIN INHIBITORS. NOVARTIS AG (CH) 2006-12-07 WO 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
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 (3 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-20080242662-A1 Organic Compounds REN, ACE, ECE1 REN 1/4885TSHR 2291/4885DRD2 182/4885
US-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN REN 1/4885TSHR 3298/4885DRD2 830/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 REN 1/4885TSHR 2359/4885DRD2 2820/4885

“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.