SCHEMBL3582904

SCHEMBL3582904

CN(C)CCN(C[C@@H](N)CSCc1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.36
METAP2 P50579 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ACE P12821 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MLYCD O95822 1/20 0.34
CCR2 P41597 1/20 0.34
CYP2C19 P33261 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL3582902 0.73 KIF11 (0.48) METAP2PPARGPPARAACECCR2
SCHEMBL8922764 0.72 PPARG (0.42) PPARGPPARAACEMLYCDCYP2C19
SCHEMBL10472373 0.70 EPHX1 (0.43) PPARGPPARAACEKMT2A
SCHEMBL3577967 0.69 KIF11 (0.46) METAP2ACE
SCHEMBL3577970 0.69 KIF11 (0.46) METAP2ACE
SCHEMBL3587720 0.68 TAAR1 (0.38) HTR5AMETAP2ACEHTR2AHTR2C
SCHEMBL4462979 0.68 PPARG (0.40) METAP2PPARGPPARAACECYP2C19
SCHEMBL3442205 0.66 HSD11B1 (0.43) HTR5AMEN1KMT2AMLYCDHTR1A
SCHEMBL8311399 0.66 PPARA (0.37) PPARGPPARAACECYP2C19CES1
SCHEMBL3584698 0.65 TACR1 (0.44) CES1

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 HTR5A 352/4885METAP2 3174/4885PPARG 1668/4885

“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.