SCHEMBL21082195

SCHEMBL21082195

CCCc1c(F)cc(O)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.64
PTGS2 P35354 3/20 0.40
CYP3A4 P08684 2/20 0.40
PGAM1 P18669 1/20 0.39
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
TYR P14679 2/20 0.36
HMGCR P04035 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL11703055 0.86 TAAR1 (0.48) TAAR1PTGS2CYP3A4PGAM1PTPN1
SCHEMBL9854552 0.80 TAAR1 (0.70) TAAR1PTGS2CYP3A4TYRCA12
SCHEMBL10193863 0.80 TAAR1 (0.40) TAAR1HMGCRHPGDRAB9ACNR1
SCHEMBL16693755 0.80 TAAR1 (0.56) TAAR1PTGS2CYP3A4CA12CA1
SCHEMBL24096195 0.78 TAAR1 (1.00) TAAR1CYP3A4CA12CA1CA9
SCHEMBL26938483 0.78 TAAR1 (0.39) TAAR1HTTNPC1HPGDMAPK1
SCHEMBL12184907 0.76 TAAR1 (0.42) TAAR1NPC1RAB9ATP53TSHR
SCHEMBL8422938 0.76 TAAR1 (0.38) TAAR1HPGD
SCHEMBL23451053 0.76 TAAR1 (0.64) TAAR1TYRCA12CA1CA9
SCHEMBL22011182 0.76 PTPN1 (0.46) TAAR1PTGS2CYP3A4PTPN1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316028-B2 Orexin receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-11 US 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-10316028-B2 Orexin receptor antagonists HCRTR2, HCRTR1, NPY4R TAAR1 78/4885PTGS2 3036/4885CYP3A4 2076/4885

“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.