SCHEMBL6775638

SCHEMBL6775638

O=C(CN1CCCC1=O)Nc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
PORCN Q9H237 4/20 0.56
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
DRD3 P35462 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
MAP4K4 O95819 1/20 0.49
ATAD2 Q6PL18 1/20 0.49
CECR2 Q9BXF3 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL11391291 0.83 HTT (1.00) HTTPORCNALDH1A1TSHRSMN1; SMN2
SCHEMBL9825395 0.80 DRD2 (0.48) DRD2DRD4ALDH1A1DRD3SMN1; SMN2
SCHEMBL6771215 0.78 ALDH1A1 (0.61) HTTPORCNALDH1A1TSHRSMN1; SMN2
SCHEMBL11243322 0.77 HTT (0.68) HTTPORCNALDH1A1TSHRSMN1; SMN2
SCHEMBL6777804 0.76 ALDH1A1 (0.50) HTTPORCNALDH1A1TSHRHPGD
SCHEMBL17896872 0.76 HTT (0.71) HTTDRD2DRD4ALDH1A1DRD3
SCHEMBL9635682 0.75 HTT (0.61) HTTPORCNALDH1A1TSHRSMN1; SMN2
SCHEMBL1355628 0.75 HTT (0.74) HTTPORCNALDH1A1TSHRSMN1; SMN2
SCHEMBL12359539 0.75 DRD2 (0.67) DRD2DRD4ALDH1A1DRD3SMN1; SMN2
SCHEMBL656126 0.75 DRD2 (0.63) DRD2DRD4ALDH1A1DRD3SMN1; SMN2

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-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 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-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT HTT 2758/4885PORCN 255/4885DRD2 4858/4885

“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.