SCHEMBL89417

SCHEMBL89417

COCCCN1C(=O)C(C)(C)Oc2ccc(C)cc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.59
CYP2C9 P11712 5/20 0.46
CYP2D6 P10635 4/20 0.46
TSHR P16473 2/20 0.45
CYP3A4 P08684 3/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 5/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL13434190 0.96 REN (0.56) RENCYP2C9CYP2D6TSHRCYP3A4
SCHEMBL89102 0.92 REN (0.51) RENCYP2C9TSHRMAPTALDH1A1
SCHEMBL13433998 0.87 REN (0.60) RENCYP2C9CYP2D6TSHRCYP3A4
SCHEMBL13434002 0.87 REN (0.51) RENCYP2C9CYP2D6TSHRCYP3A4
SCHEMBL15087927 0.86 REN (0.56) RENCYP2C9CYP2D6CYP3A4MAPT
SCHEMBL10181873 0.86 REN (0.46) RENCYP2C9CYP2D6TSHRCYP3A4
SCHEMBL89400 0.86 REN (0.62) RENCYP2C9CYP2D6CYP3A4MAPT
SCHEMBL5985373 0.86 REN (0.57) RENCYP2C9CYP2D6CYP3A4MAPT
SCHEMBL13434007 0.85 REN (0.60) RENCYP2C9CYP2D6TSHRCYP3A4
SCHEMBL13434189 0.85 REN (0.46) RENTSHRMAPTALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420491-B1 3 , 5-SUBSTITUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885CYP2C9 211/4885CYP2D6 479/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885CYP2C9 392/4885CYP2D6 185/4885

“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.