SCHEMBL2406789

SCHEMBL2406789

CSc1ccc(C(CC2CC2)C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
FPR2 P25090 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR2 O15552 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
EPHX1 P07099 1/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
ACACB O00763 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 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
SCHEMBL2407534 0.83 ALOX5 (0.40) MEN1KMT2AFFAR2EPHX1
SCHEMBL28819817 0.82 SLC6A4 (0.40) SLC6A4MEN1KMT2AEPHX1AKR1C3
SCHEMBL2405158 0.81 ESR1 (0.41) FFAR2EPHX1
SCHEMBL1107404 0.81 AKR1C3 (0.40) SLC6A4FPR2MEN1KMT2AAKR1C3
SCHEMBL12742235 0.81 GCK (0.38) SLC6A4MEN1KMT2AEPHX1AKR1C3
SCHEMBL2646161 0.81 AKR1C3 (0.40) SLC6A4FPR2MEN1KMT2AAKR1C3
SCHEMBL27437633 0.79 EPHX1 (0.56) MEN1KMT2AEPHX1
SCHEMBL2405258 0.79 CA1 (0.42) SLC6A4KMT2AEPHX1
SCHEMBL19331722 0.78 ANPEP (0.44) MEN1KMT2AFFAR2EPHX1
SCHEMBL2648331 0.78 GCK (0.36) SLC6A4FPR2MEN1KMT2AEPHX1

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 SLC6A4 781/4885FPR2 568/4885MEN1 525/4885

“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.