SCHEMBL5779924

SCHEMBL5779924

COC(=O)CCn1ccc2cc[c]cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
MAPK1 P28482 3/20 0.39
KMO O15229 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
TNF P01375 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL5780811 0.89 LMNA (0.41) LMNAMTNR1AMTNR1BMAPK1KMO
SCHEMBL5775360 0.86 ATM (0.44) LMNAMTNR1AMTNR1BMAPK1SMN1; SMN2
SCHEMBL2037341 0.80 LMNA (0.65) LMNAMTNR1AMTNR1BMAPK1NPC1
SCHEMBL13726782 0.78 CDK4 (0.38) MTNR1AMTNR1BMAPK1NPC1RAB9A
SCHEMBL5779603 0.78 MAPK1 (0.66) LMNAMTNR1AMTNR1BMAPK1NPC1
SCHEMBL5778935 0.78 MAPK1 (0.39) LMNAMTNR1AMTNR1BMAPK1KMO
SCHEMBL19149287 0.76 HTR7 (0.50) LMNAMTNR1AMTNR1BMAPK1KMO
SCHEMBL6183003 0.76 CDK4 (0.41) LMNAMTNR1AMTNR1BMAPK1HTT
SCHEMBL1450339 0.76 CDK4 (0.41) LMNAMTNR1AMTNR1BMAPK1KMO
SCHEMBL5778193 0.75 CDK4 (0.41)

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
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-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
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-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO 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 LMNA 1866/4885MTNR1A 2822/4885MTNR1B 1434/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 LMNA 2783/4885MTNR1A 3189/4885MTNR1B 2041/4885

“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.