SCHEMBL3883498

SCHEMBL3883498

CCc1cc2cccc(Br)c2o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
SLC22A12 Q96S37 7/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2D6 P10635 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TLR8 Q9NR97 2/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CHRNA7 P36544 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
SCHEMBL23218553 0.81 LOXL2 (0.41) MAOBMAOALOXL2CHRM2CHRM4
SCHEMBL1864946 0.81 CHRM2 (0.40) MAOBMAOALOXL2CHRM2CHRM4
SCHEMBL20078226 0.79 MAOA (0.48) MAOBMAOALOXL2SLC22A12CYP2D6
SCHEMBL12829697 0.79 MAOB (0.51) MAOBMAOACHRM2CHRM4CHRM5
SCHEMBL13979677 0.79 CYP2D6 (0.56) MAOBMAOASLC22A12CYP2D6GABRA1
SCHEMBL19756708 0.78 AHR (0.40) SLC22A12CYP2D6TLR8
SCHEMBL1287389 0.78 CA12 (0.45) MAOBMAOALOXL2SLC22A12CYP2D6
SCHEMBL14048145 0.78 NPC1 (0.50) MAOBMAOALOXL2SLC22A12CYP2D6
SCHEMBL16795603 0.77 LOXL2 (0.41) MAOBMAOALOXL2CHRM2CHRM4
SCHEMBL348215 0.75 LMNA (0.54) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 MAOB 668/4885MAOA 904/4885LOXL2 3370/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 MAOB 1027/4885MAOA 1452/4885LOXL2 2775/4885

“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.