SCHEMBL2403445

SCHEMBL2403445

Fc1ccc(-c2cnc(C3CC3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
MLYCD O95822 2/20 0.42
QPCT Q16769 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
ABL1 P00519 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSC P53634 1/20 0.37
MAP4K3 Q8IVH8 2/20 0.36
USP30 Q70CQ3 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
SLC5A2 P31639 1/20 0.35

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
SCHEMBL17151793 0.89 MAP4K3 (0.48) SLC6A2SLC6A4SLC6A3MAP4K3TLR9
SCHEMBL1765207 0.84 MLYCD (0.46) SLC6A2SLC6A4SLC6A3MLYCDQPCT
SCHEMBL20924228 0.83 HSD17B1 (0.47) SLC6A2SLC6A4SLC6A3QPCTMAP4K3
SCHEMBL29786817 0.82 KDR (0.46) SLC6A2SLC6A4SLC6A3USP30
SCHEMBL21774242 0.79 EGLN2 (0.40) QPCTCTSCMAP4K3TLR9TLR8
SCHEMBL21774181 0.79 QPCT (0.40) SLC6A2SLC6A4SLC6A3QPCTCTSC
SCHEMBL21774262 0.76 CSNK2A1 (0.43) QPCTHDAC3HDAC1HDAC6
SCHEMBL17151815 0.76 POLB (0.49)
SCHEMBL23040089 0.74 IDO1 (0.48) MLYCD
SCHEMBL20500609 0.74 MAP4K4 (0.45) SLC6A2SLC6A4SLC6A3MLYCDQPCT

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 SLC6A2 430/4885SLC6A4 781/4885SLC6A3 576/4885

“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.