SCHEMBL3176483

SCHEMBL3176483

NCCc1ccc(F)c(OCc2ccccc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.50
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
TRPM8 Q7Z2W7 2/20 0.44
LTA4H P09960 2/20 0.44
PLA2G2A P14555 2/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR2A P28223 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2A6 P11509 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL24162329 0.84 BCHE (0.47) TAAR1
SCHEMBL8565737 0.81 KDM1A (0.55) KDM1AMAOAMAOBMAPTSMN1; SMN2
SCHEMBL14882717 0.79 KDM1A (0.60) KDM1AMAOAMAOBMAPTSMN1; SMN2
SCHEMBL3191919 0.79 KDM1A (0.45) KDM1AMAOAMAOBHTR1ASLC6A2
SCHEMBL3178929 0.77 POLB (0.46) KDM1AMAOAMAOBTAAR1SMN1; SMN2
SCHEMBL19692666 0.76 TRPM8 (0.51) TRPM8LTA4HPLA2G2AMAPTKDM4E
SCHEMBL29216487 0.76 KDM1A (0.50) KDM1AMAOAMAOBMAPTSMN1; SMN2
SCHEMBL12558410 0.76 HTR2A (0.46) KDM1AMAOAMAOBTRPM8LTA4H
Hydrochloric Acid SCHEMBL19692661 0.75 LTA4H (0.50) MAOBTRPM8LTA4HPLA2G2AMAPT
SCHEMBL26761852 0.75 PTGER4 (0.48) TRPM8LTA4HPLA2G2AMAPTKDM4E

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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
US-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-01-28 US disclosed
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 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-20100022515-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GCGR, GPR65 KDM1A 2712/4885MAOA 2885/4885MAOB 2584/4885

“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.