SCHEMBL1311253

SCHEMBL1311253

C[C@H](N)C(=O)N(C)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.51
AOC3 Q16853 2/20 0.50
TAAR1 Q96RJ0 1/20 0.48
LIPE Q05469 1/20 0.48
HPGD P15428 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
TACR1 P25103 1/20 0.47
NPY5R Q15761 1/20 0.47
KMT2A Q03164 1/20 0.46
ADAM17 P78536 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
ABCC1 P33527 1/20 0.46

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
SCHEMBL29178346 0.90 AOC3 (0.53) AOC3SIGMAR1TACR1
SCHEMBL29178344 0.90 AOC3 (0.53) AOC3SIGMAR1TACR1
SCHEMBL1414607 0.87 MLYCD (0.49) MLYCDAOC3TAAR1LIPEHPGD
SCHEMBL13181376 0.86 MLYCD (0.54) MLYCDAOC3TAAR1LIPEHPGD
SCHEMBL17152628 0.84 AOC3 (0.49) MLYCDAOC3TAAR1LIPEHPGD
SCHEMBL27734471 0.84 TACR1 (0.51) MLYCDAOC3TAAR1SIGMAR1TACR1
SCHEMBL1007948 0.83 HPGD (0.68) HPGDKMT2A
SCHEMBL3220549 0.83 HPGD (0.68) HPGDKMT2A
SCHEMBL1007950 0.83 HPGD (0.68) HPGDKMT2A
SCHEMBL11712667 0.83 MLYCD (0.48) MLYCDAOC3TAAR1LIPETACR1

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 disclosed
EP-2310368-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2011-04-20 EP disclosed
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO 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 MLYCD 1254/4885AOC3 4527/4885TAAR1 683/4885

“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.