SCHEMBL664894

SCHEMBL664894

O=C(O)NC1(Cc2cc(Br)ccc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
PTPRC P08575 1/20 0.33
PTPRG P23470 1/20 0.33
PTGFR P43088 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL663582 0.83 GPR35 (0.33) ALDH1A1
SCHEMBL662617 0.78 XDH (0.35) PTGDR2HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL19376882 0.77 NPC1 (0.36) SMN1; SMN2ALDH1A1CYP1A2KMT2ANPC1
SCHEMBL663587 0.76 HPGD (0.33) HPGDALDH1A1MAPTCYP1A2KMT2A
SCHEMBL16040906 0.75 ADRB2 (0.44) HPGDSMN1; SMN2ALDH1A1KMT2ANPC1
SCHEMBL661971 0.74 REN (0.40) ALDH1A1MAPTCYP1A2KMT2AHTT
SCHEMBL14685998 0.72 HTT (0.45) P2RX7HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL154416 0.70 PTGDR2 (0.44) PTGDR2HPGDALDH1A1LMNAPTPRC
SCHEMBL663585 0.69 ALDH1A1 (0.37) P2RX7PTGDR2HPGDSMN1; SMN2ALDH1A1
SCHEMBL4315681 0.68 PNMT (0.33)

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
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 P2RX7 2160/4885PTGDR2 1386/4885HPGD 559/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT P2RX7 1426/4885PTGDR2 1701/4885HPGD 523/4885

“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.