SCHEMBL1312082

SCHEMBL1312082

[3H]c1cc(C[C@@](C)(C(=O)NCCC(C)C)N(Cc2ccncc2)C(=O)O)cc([3H])c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP19A1 P11511 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNA5 P22460 2/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ANPEP P15144 2/20 0.31
RNPEP Q9H4A4 2/20 0.31
DNPEP Q9ULA0 2/20 0.31
NAMPT P43490 1/20 0.31
FNTA P49354 1/20 0.31

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
SCHEMBL1311213 0.91 ALDH1A1 (0.38) ALDH1A1CYP19A1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL1310637 0.90 ALDH1A1 (0.37) ALDH1A1CYP19A1LMNAMAPTMAPK1
SCHEMBL1311247 0.89 ALDH1A1 (0.45) ALDH1A1CYP19A1LMNAKCNA5CYP3A4
Hydrochloric Acid SCHEMBL1312450 0.88 ALDH1A1 (0.45) ALDH1A1CYP19A1LMNAKCNA5CYP3A4
SCHEMBL1310792 0.86 CYP19A1 (0.33) ALDH1A1CYP19A1LMNAMAPTMAPK1
SCHEMBL1310383 0.81 CYP19A1 (0.42) ALDH1A1CYP19A1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL1312267 0.80 ALDH1A1 (0.41) ALDH1A1CYP19A1LMNAMAPTMAPK1
SCHEMBL1310507 0.78 ERCC1 (0.36) ALDH1A1LMNACYP3A4L3MBTL1ERCC1
Hydrochloric Acid SCHEMBL1311860 0.77 ERCC1 (0.35) ALDH1A1LMNACYP3A4L3MBTL1ERCC1
SCHEMBL1310603 0.75 MMP8 (0.44) ALDH1A1MAPTCYP3A4RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 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-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 ALDH1A1 1875/4885CYP19A1 1411/4885LMNA 1598/4885

“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.