SCHEMBL8252700

SCHEMBL8252700

CC(C)(C)OC(=O)N1CC[C@H](c2cc3ccccc3s2)[C@@H](C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.51
TACR1 P25103 1/20 0.46
ACKR3 P25106 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
PDE4B Q07343 1/20 0.43
USP30 Q70CQ3 7/20 0.42
HPGDS O60760 1/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 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
SCHEMBL8252142 0.90 MMP13 (0.49) MMP13TACR1ACKR3GPR119PDE4B
SCHEMBL31412656 0.84 MMP13 (0.52) MMP13ACKR3GPR119PDE4BUSP30
SCHEMBL8244784 0.81 TACR1 (0.47) MMP13TACR1ACKR3GPR119PDE4B
SCHEMBL953506 0.80 TACR1 (0.61) TACR1GPR119PDE4BUSP30SLC6A4
SCHEMBL953505 0.80 TACR1 (0.61) TACR1GPR119PDE4BUSP30SLC6A4
SCHEMBL2244835 0.80 TACR1 (0.61) TACR1GPR119PDE4BUSP30SLC6A4
SCHEMBL14400171 0.80 TACR1 (0.61) TACR1GPR119PDE4BUSP30SLC6A4
SCHEMBL2239870 0.80 TACR1 (0.61) TACR1GPR119PDE4BUSP30SLC6A4
SCHEMBL2240156 0.80 TACR1 (0.61) TACR1GPR119PDE4BUSP30SLC6A4
SCHEMBL8245301 0.80 TACR1 (0.52) TACR1GPR119PDE4BUSP30JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 US disclosed
WO-2006125621-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2006-11-30 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-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 MMP13 415/4885TACR1 134/4885ACKR3 3402/4885

“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.