SCHEMBL5564533

SCHEMBL5564533

O=C(NCC(F)(F)F)c1ccccc1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.44
ADRB1 P08588 2/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
HTR1A P08908 3/20 0.39
HTR6 P50406 3/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR5A P47898 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NCF1 P14598 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL9283305 0.82 OPRD1 (0.50) BACE1ADRB1LMNAHTR1AHTR6
SCHEMBL15545669 0.81 HTR6 (0.44) BACE1ADRB1HTR1AHTR6HTR2A
SCHEMBL5666316 0.80 TSHR (0.48) ADRB1HTR1AHTR2ATSHR
SCHEMBL8623037 0.79 BACE1 (0.51) BACE1ADRB1LMNAHTR1AHTR6
SCHEMBL5563018 0.78 MAPK1 (0.51) ADRB1LMNAHTR6HTR3AHTR3E
SCHEMBL1742847 0.77 ADRB1 (0.51) BACE1ADRB1LMNAHTR1AHTR6
Trifluoroacetic Acid SCHEMBL114174 0.77 BACE1 (0.58) BACE1CYP1A2CYP2D6
SCHEMBL5563304 0.77 ALDH1A1 (0.46) BACE1ADRB1CYP1A2HSD17B10
SCHEMBL16230836 0.77 PRMT5 (0.44) BACE1ADRB1HTR1AHTR6HTR2A
SCHEMBL8092711 0.76 ITGB3 (0.43) BACE1HTR1AHTR6HTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
EP-1603912-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO 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-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R BACE1 4564/4885ADRB1 60/4885CHRM3 291/4885

“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.