SCHEMBL6743221

SCHEMBL6743221

ClCc1ccc(OCc2ccccc2)c(OCC2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.49
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SLC6A4 P31645 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
SLC2A1 P11166 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPK1 P28482 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
SCHEMBL2074825 0.87 SLC2A1 (0.52) C5AR1SLC6A4NPC1RAB9AMEN1
SCHEMBL23436508 0.81 C5AR1 (0.49) C5AR1HTR2CHTR2BSLC6A4SLC6A2
SCHEMBL7324207 0.80 PDE4B (0.56)
SCHEMBL15754408 0.78 TACR2 (0.51) C5AR1NPC1RAB9AMEN1KMT2A
SCHEMBL2805176 0.78 PDE4A (0.55) C5AR1NPC1RAB9AMAPT
SCHEMBL30362096 0.78 PDE4A (0.55) C5AR1NPC1RAB9AMAPT
SCHEMBL30362078 0.78 TACR2 (0.51) C5AR1NPC1RAB9AMEN1KMT2A
SCHEMBL6672350 0.78 TTR (0.60) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL5387584 0.78 TTR (0.65) NPC1RAB9APKMMEN1KMT2A
Phosphine SCHEMBL4434544 0.77 TTR (0.59) NPC1RAB9AMEN1KMT2AHSD17B10

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-6818642-B2 CAMPYLOBACTER INFECTION TREATMENT ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040152714-A1 Benzylaminopyrimidines ALTANA PHARMA AG (DE) 2004-08-05 US disclosed
EP-1395594-A1 NEW BENZYLAMINOPYRIMIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-03-10 EP disclosed
WO-2002094832-A1 NEW BENZYLAMINOPYRIMIDINES ALTANA PHARMA AG (DE) 2002-11-28 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-20040152714-A1 Benzylaminopyrimidines DPYD, PGLS, TPMT C5AR1 3739/4885HTR2C 1807/4885HTR2B 1632/4885

“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.