SCHEMBL3390160

SCHEMBL3390160

CC(C)[C@@H](COCc1ccccc1)CC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.40
KLK5 Q9Y337 2/20 0.40
CTSS P25774 1/20 0.39
PPARA Q07869 2/20 0.39
GPR119 Q8TDV5 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
PPARG P37231 1/20 0.36
BRD4 O60885 1/20 0.35
YAP1 P46937 1/20 0.34
HTR2C P28335 1/20 0.34
GHSR Q92847 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL1047524 1.00 KLK7 (0.40) KLK7KLK5CTSSPPARAGPR119
SCHEMBL3390164 1.00 KLK7 (0.40) KLK7KLK5CTSSPPARAGPR119
SCHEMBL1051333 0.89 PSMB11 (0.35) KLK7KLK5HTR2C
SCHEMBL3389163 0.89 PSMB11 (0.35) KLK7KLK5HTR2C
SCHEMBL3389166 0.89 PSMB11 (0.35) KLK7KLK5HTR2C
SCHEMBL16545983 0.84 SPHK1 (0.41) KLK7KLK5CTSSGPR119SPHK1
SCHEMBL17819587 0.84 SPHK1 (0.41) KLK7KLK5CTSSGPR119SPHK1
SCHEMBL1836162 0.82 SPHK1 (0.42) KLK7KLK5CTSSPPARAGPR119
SCHEMBL1836163 0.82 SPHK1 (0.42) KLK7KLK5CTSSPPARAGPR119
SCHEMBL3389152 0.80 SPHK1 (0.43) SPHK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756037-B1 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-12-15 EP disclosed
US-7786307-B2 suchas N-(4(S)-amino-5(S)-hydroxy-2(S)-isopropyl-6-piperidin-1-ylhexyl)-2-(3-methoxypropoxy)benzamide dihydrochloride, used for the treatment of hypertension, cardiovasculr disorders, complications owing to diabetes, vision deffects, hyperaldosteronism, states of anxiety and cognitive disorders NOVARTIS AG (CH) 2010-08-31 US disclosed
US-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors NOVARTIS PHARMA AG (CH) 2007-07-05 US disclosed
EP-1756037-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-02-28 EP disclosed
WO-2005070871-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 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 (1 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-20070155743-A1 Amino alcohol derivatives and their activity as renin inhibitors REN, AGTR1, AGTR2 KLK7 1903/4885KLK5 1219/4885CTSS 1905/4885

“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.