SCHEMBL985688

SCHEMBL985688

c1cc2c(cc1OCC1CCC1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
FAAH O00519 6/20 0.53
MAOA P21397 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
CYP3A4 P08684 2/20 0.48
SLC6A4 P31645 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CACNA1F O60840 1/20 0.48
MPO P05164 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48

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
SCHEMBL983383 0.93 MAOB (0.57) MAOBFAAHMAOANPC1RAB9A
SCHEMBL12735771 0.86 SLC6A4 (0.58) MAOBFAAHNPC1RAB9ACYP3A4
SCHEMBL24093999 0.84 SLC6A4 (0.56) MAOBFAAHNPC1RAB9ACYP3A4
SCHEMBL5294182 0.84 SLC6A4 (0.56) MAOBFAAHNPC1RAB9ACYP3A4
SCHEMBL24094018 0.79 FAAH (0.45) MAOBFAAHNPC1RAB9ACYP3A4
SCHEMBL7094941 0.79 ALDH1A1 (0.59) MAOBFAAHMAOANPC1RAB9A
SCHEMBL7979964 0.79 ALDH1A1 (0.59) MAOBFAAHMAOANPC1RAB9A
SCHEMBL5515785 0.79 ALDH1A1 (0.59) MAOBFAAHMAOANPC1RAB9A
Hydrochloric Acid SCHEMBL9527549 0.78 RAB9A (0.53) MAOBFAAHMAOANPC1RAB9A
SCHEMBL107322 0.77 MAOB (0.83) MAOBMAOANPC1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US disclosed
EP-2247594-A1 PYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2010-11-10 EP disclosed
WO-2009106531-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2009-09-03 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A MAOB 81/4885FAAH 1405/4885MAOA 101/4885

“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.