SCHEMBL1311213

SCHEMBL1311213

CC(C)CCNC(=O)[C@](C)(Cc1ccc(O)cc1)N(Cc1ccncc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 1/20 0.37
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
BLM P54132 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA5 P22460 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
PKM P14618 1/20 0.33
RAB9A P51151 2/20 0.33
ESRRG P62508 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
Hydrochloric Acid SCHEMBL1310637 0.99 ALDH1A1 (0.37) ALDH1A1CYP19A1ERCC1FEN1ERCC4
SCHEMBL1311247 0.91 ALDH1A1 (0.45) ALDH1A1CYP19A1MMP8L3MBTL1KCNA5
SCHEMBL1312082 0.91 ALDH1A1 (0.36) ALDH1A1CYP19A1ERCC1FEN1ERCC4
Hydrochloric Acid SCHEMBL1312450 0.90 ALDH1A1 (0.45) ALDH1A1CYP19A1MMP8L3MBTL1KCNA5
SCHEMBL1310507 0.87 ERCC1 (0.36) ALDH1A1ERCC1FEN1ERCC4BLM
Hydrochloric Acid SCHEMBL1311860 0.86 ERCC1 (0.35) ALDH1A1ERCC1FEN1ERCC4BLM
SCHEMBL1310603 0.84 MMP8 (0.44) ALDH1A1MMP8MAPTRAB9ACYP3A4
SCHEMBL1310792 0.83 CYP19A1 (0.33) ALDH1A1CYP19A1KCNA5LMNAMAPT
SCHEMBL1310383 0.83 CYP19A1 (0.42) ALDH1A1CYP19A1L3MBTL1KCNA5LMNA
Hydrochloric Acid SCHEMBL1312267 0.82 ALDH1A1 (0.41) ALDH1A1CYP19A1L3MBTL1KCNA5LMNA

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 3 patents. 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 claimed
US-20110275638-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (SE) 2011-11-10 US disclosed
EP-2310368-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2011-04-20 EP 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 1411/4885ERCC1 4840/4885

“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.