SCHEMBL5775360

SCHEMBL5775360

COC(=O)Cn1ccc2cc[c]cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL5777257 0.88 ATM (0.47) ATMPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL5777278 0.86 MAPT (0.42) POLBKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL5779924 0.86 LMNA (0.41) ALDH1A1SMN1; SMN2HSD17B10KMT2ALMNA
SCHEMBL5798017 0.80 LMNA (0.43) POLBKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5336099 0.78 KMT2A (0.65) ATMPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL29827118 0.78 KMT2A (0.65) ATMPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL5778935 0.74 MAPK1 (0.39) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL5777834 0.74 MAPT (0.42) POLBKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL5780811 0.74 LMNA (0.41) ATMALDH1A1SMN1; SMN2HSD17B10KMT2A
SCHEMBL5779603 0.74 MAPK1 (0.66) KDM4EALDH1A1SMN1; SMN2HSD17B10KMT2A

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 12 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-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO 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-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 ATM 4859/4885POLB 1242/4885KDM4E 1803/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 ATM 4839/4885POLB 2221/4885KDM4E 3296/4885

“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.