SCHEMBL4903346

SCHEMBL4903346

COCCCCC1(CNC(=O)[C@H]2C[C@@H](C(=O)N(C)Cc3cccnc3)CN(C(=O)OC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.47
NAMPT P43490 3/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TACR1 P25103 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
RORC P51449 1/20 0.31
USP30 Q70CQ3 2/20 0.31
RIPK1 Q13546 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL14089248 1.00 REN (0.47) RENNAMPTHDAC1HDAC6TACR1
SCHEMBL14089232 0.93 REN (0.51) RENTACR1JAK2JAK1USP30
SCHEMBL4910578 0.93 REN (0.51) RENTACR1JAK2JAK1USP30
SCHEMBL4911786 0.89 REN (0.48) RENTACR1SMN1; SMN2GPR119RORC
SCHEMBL14089234 0.89 REN (0.48) RENTACR1SMN1; SMN2GPR119RORC
SCHEMBL4916155 0.88 REN (0.48) RENUSP30
SCHEMBL4907751 0.88 REN (0.50) RENTACR1JAK2JAK1USP30
SCHEMBL4907757 0.88 REN (0.50) RENTACR1JAK2JAK1USP30
SCHEMBL4903087 0.86 REN (0.51) RENNAMPTUSP30
SCHEMBL14089233 0.86 REN (0.51) RENNAMPTUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885NAMPT 2165/4885HDAC1 1110/4885

“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.