SCHEMBL1473380

SCHEMBL1473380

CC(C)Oc1cccc(NCCNCc2cccc(C3CCCCN3C=O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
HDAC4 P56524 3/20 0.41
MEF2D Q14814 3/20 0.41
ACACB O00763 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
DRD4 P21917 1/20 0.35
CXCR3 P49682 1/20 0.35
CTSK P43235 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.34
TACR1 P25103 1/20 0.34
FFAR1 O14842 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 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
SCHEMBL1473277 0.86 HTR1A (0.52) HTR1AHDAC4
SCHEMBL5647829 0.81 HTR1A (0.70) HTR1A
SCHEMBL1473255 0.80 HTR1A (0.39) HTR1ATHRB
SCHEMBL1473217 0.77 HTR1A (0.38) HTR1AHDAC4MEF2DMEN1KMT2A
SCHEMBL1471583 0.76 HTR1A (0.35) HTR1AMEN1KMT2A
SCHEMBL1471053 0.75 KMT2A (0.60) HTR1AHDAC4MEF2DMEN1GAA
SCHEMBL1473120 0.73 MAPT (0.40)
SCHEMBL1470929 0.71 HTR1A (0.36) HTR1AHDAC4KMT2A
SCHEMBL28168305 0.66 DRD2 (0.48) GAAKMT2ATHRB
SCHEMBL1471584 0.66 ALDH1A1 (0.55) MTNR1AMTNR1BMEN1HTTKMT2A

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 286/4885HDAC4 324/4885MEF2D 3256/4885

“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.