SCHEMBL2404693

SCHEMBL2404693

Brc1cccc(-c2cnc(C3CC3)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.51
SLC6A4 P31645 4/20 0.51
SLC6A3 Q01959 4/20 0.51
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
BIRC5 O15392 1/20 0.38
QPCT Q16769 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.36
METAP2 P50579 1/20 0.36
MAP4K3 Q8IVH8 2/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL29786817 0.84 KDR (0.46) SLC6A2SLC6A4SLC6A3LOXL2CHRNB2
SCHEMBL20500609 0.82 MAP4K4 (0.45) SLC6A2SLC6A4SLC6A3LOXL2CYP3A4
SCHEMBL1765207 0.82 MLYCD (0.46) SLC6A2SLC6A4SLC6A3LOXL2CYP3A4
SCHEMBL20924388 0.82 HSD17B1 (0.60) CYP3A4CYP2C9HSD17B1HSD17B2
SCHEMBL26255820 0.78 KDR (0.44) SLC6A2SLC6A4SLC6A3LOXL2MAP4K3
SCHEMBL4677035 0.75 KDR (0.41) SLC6A2SLC6A4SLC6A3LOXL2CHRNB2
SCHEMBL3176189 0.74 MEN1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL20924228 0.74 HSD17B1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1CYP3A4
SCHEMBL2407377 0.74 NPC1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL2403445 0.74 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3QPCTMAP4K3

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.