SCHEMBL6233354

SCHEMBL6233354

CC(C)(C)OC(=O)N1CCC(c2ccc(OCCCOCc3ccccc3F)cc2)C(NCc2ccc(F)c(C(F)(F)F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.43
REN P00797 4/20 0.42
BTK Q06187 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
EPHX2 P34913 1/20 0.39
PREP P48147 1/20 0.39
YAP1 P46937 3/20 0.38
PDE4B Q07343 1/20 0.38
S1PR3 Q99500 1/20 0.37

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
SCHEMBL6235841 0.87 REN (0.45) TACR1RENBTKGPR119YAP1
SCHEMBL5814730 0.83 BTK (0.46) TACR1BTKGPR119YAP1PDE4B
SCHEMBL5777363 0.82 REN (0.64) TACR1RENYAP1PDE4B
SCHEMBL5781047 0.80 BTK (0.48) BTKGPR119PDE4B
SCHEMBL5814022 0.80 REN (0.57) TACR1RENYAP1PDE4B
SCHEMBL8339861 0.79 REN (0.63) REN
SCHEMBL8339859 0.79 REN (0.63) REN
SCHEMBL5801143 0.79 REN (0.63) REN
SCHEMBL5777492 0.79 ADAM17 (0.48) RENBTKGPR119PDE4B
SCHEMBL6230372 0.79 REN (0.56) TACR1RENPDE4B

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 2 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 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN TACR1 484/4885REN 1/4885BTK 4637/4885

“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.