SCHEMBL5778093

SCHEMBL5778093

COCCCn1ccc2c[c]ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.41
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
MCL1 Q07820 3/20 0.38
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SMPD1 P17405 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
REN P00797 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
SCHEMBL3198506 0.91 GLO1 (0.39) GLO1CDK4CCND1MCL1HTR2A
SCHEMBL5778193 0.88 CDK4 (0.41) GLO1CDK4CCND1MCL1HTR2A
SCHEMBL5814894 0.83 CDK4 (0.44) CDK4CCND1HTR2AHTR2CSMPD1
SCHEMBL6231638 0.81 HTR2C (0.33) CDK4CCND1HTR2AHTR2C
SCHEMBL16719844 0.80 CDK4 (0.44) CDK4CCND1MCL1HTR2AHTR2C
SCHEMBL694594 0.79 CDK4 (0.41) CDK4CCND1HTR2AHTR2C
SCHEMBL6754186 0.79 HTR2A (0.50) CDK4CCND1HTR2AHTR2CSMPD1
SCHEMBL13726782 0.78 CDK4 (0.38) GLO1CDK4CCND1MCL1HTR2A
SCHEMBL31083788 0.78 CDK4 (0.70) GLO1CDK4CCND1HTR2AHTR2C
SCHEMBL3995842 0.78 CDK4 (0.70) GLO1CDK4CCND1HTR2AHTR2C

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 GLO1 2504/4885CDK4 2231/4885CCND1 3503/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 GLO1 2413/4885CDK4 1278/4885CCND1 3634/4885

“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.