SCHEMBL1311247

SCHEMBL1311247

CC(C)CCNC(=O)[C@](C)(Cc1ccccc1)N(Cc1ccncc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 1/20 0.41
ANPEP P15144 2/20 0.40
RNPEP Q9H4A4 2/20 0.40
DNPEP Q9ULA0 2/20 0.40
LAP3 P28838 3/20 0.40
KCNA5 P22460 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MMP8 P22894 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP19A1 P11511 1/20 0.38
NAMPT P43490 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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 SCHEMBL1312450 0.99 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAPKMCYP3A4
SCHEMBL1311213 0.91 ALDH1A1 (0.38) ALDH1A1L3MBTL1LMNAPKMCYP3A4
Hydrochloric Acid SCHEMBL1310637 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1LMNAPKMCYP3A4
SCHEMBL1312082 0.89 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNAPKMCYP3A4
SCHEMBL1310383 0.85 CYP19A1 (0.42) ALDH1A1L3MBTL1LMNAPKMCYP3A4
Hydrochloric Acid SCHEMBL1312267 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNAPKMCYP3A4
SCHEMBL1310792 0.83 CYP19A1 (0.33) ALDH1A1LMNACYP3A4KCNA5CYP19A1
SCHEMBL1310603 0.81 MMP8 (0.44) ALDH1A1CYP3A4SMN1; SMN2RAB9AMMP8
SCHEMBL1311281 0.81 MEN1 (0.44) ALDH1A1L3MBTL1LMNACYP3A4SMN1; SMN2
SCHEMBL1312278 0.79 PTPRB (0.42) ALDH1A1L3MBTL1LMNACYP3A4SMN1; 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-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

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 1875/4885L3MBTL1 4586/4885LMNA 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.