SCHEMBL1473255

SCHEMBL1473255

CC(C)Nc1ccccc1NCCNCc1cccc(C2CCCCN2C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
CXCR4 P61073 1/20 0.33
ADAM17 P78536 2/20 0.32
DPP7 Q9UHL4 2/20 0.31
DPP4 P27487 1/20 0.31
THRB P10828 1/20 0.30
CPT2 P23786 1/20 0.30
CPT1A P50416 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SLC2A1 P11166 1/20 0.30

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
SCHEMBL1473277 0.87 HTR1A (0.52) HTR1A
SCHEMBL1471583 0.87 HTR1A (0.35) HTR1ACXCR4ADAM17DPP7DPP4
SCHEMBL1473217 0.83 HTR1A (0.38) HTR1ACXCR4
SCHEMBL1473120 0.83 MAPT (0.40) CXCR4
SCHEMBL1471370 0.83
SCHEMBL1473380 0.80 HTR1A (0.45) HTR1ATHRB
SCHEMBL5647829 0.77 HTR1A (0.70) HTR1A
SCHEMBL1470886 0.73 RAB9A (0.45) HTR1A
SCHEMBL1470929 0.71 HTR1A (0.36) HTR1A
SCHEMBL8846952 0.68 CHRNB2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 HTR1A 286/4885CXCR4 1308/4885ADAM17 2055/4885

“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.