SCHEMBL556706

SCHEMBL556706

O=C(O)N1CC[C@H](c2ccc(F)c(F)c2)[C@@H](c2nnc(-c3cccc(Cl)c3Cl)n2C2CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.36
MGLL Q99685 3/20 0.34
KDM1A O60341 4/20 0.33
CALCRL Q16602 1/20 0.33
SLC6A9 P48067 2/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
REN P00797 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.31
SCD5 Q86SK9 1/20 0.31

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
SCHEMBL535120 0.88 TACR3 (0.40) P2RX7
SCHEMBL556511 0.82 P2RX7 (0.33) P2RX7CYP3A4
SCHEMBL555729 0.80 REN (0.41) P2RX7RENCYP3A4KCNH2
Hydrochloric Acid SCHEMBL557460 0.79 REN (0.41) RENCYP3A4KCNH2
SCHEMBL556510 0.77 NTRK1 (0.35) P2RX7
SCHEMBL7874645 0.76 P2RX7 (0.38) P2RX7RENCYP3A4KCNH2
SCHEMBL556652 0.76 P2RX7 (0.38) P2RX7RENCYP3A4KCNH2
SCHEMBL555599 0.69 SLC6A2 (0.32)
SCHEMBL28466812 0.66 ADAMTS5 (0.44) KDM1AHTR2CMAOAADAMTS5
SCHEMBL14920363 0.65 ADAMTS5 (0.43) KDM1AHTR2CADAMTS5

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
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 P2RX7 1307/4885MGLL 1382/4885KDM1A 2899/4885

“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.