SCHEMBL1314256

SCHEMBL1314256

C[C@@H]1CN(C(=O)OCc2cccnc2)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
CYP17A1 P05093 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
GRIN2B Q13224 2/20 0.47
NPC1 O15118 1/20 0.47
OPRK1 P41145 1/20 0.47
NAMPT P43490 1/20 0.46
AOC3 Q16853 1/20 0.45
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43

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 SCHEMBL1313563 0.99 MMP1 (0.49) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1314009 0.84 NPC1 (0.58) CYP17A1CYP19A1CYP2C9CYP2D6GRIN2B
Hydrochloric Acid SCHEMBL1313055 0.83 NPC1 (0.57) CYP17A1CYP19A1CYP2C9CYP2D6GRIN2B
SCHEMBL2331248 0.83 KMT2A (0.56) NPC1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1902866 0.80 CYP17A1 (0.48) MMP1MMP3MMP7MMP9MMP13
SCHEMBL5792708 0.78 OPRK1 (0.56) MMP1MMP3MMP7MMP9MMP13
SCHEMBL23091671 0.77 SMN1; SMN2 (0.54) NPC1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL25676009 0.77 GRIN2B (0.63) MMP1MMP3MMP7MMP9MMP13
SCHEMBL25676008 0.76 GRIN2B (0.56) MMP1MMP3MMP7MMP9MMP13
SCHEMBL1315257 0.75 ALDH1A1 (0.44) NPC1KMT2AALDH1A1TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US claimed
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 EP claimed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
US-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2011-11-10 US disclosed
EP-2313096-A1 NEW COMPOUNDS V AstraZeneca AB (Publ) (SE) 2011-04-27 EP disclosed
WO-2009147211-A1 NEW COMPOUNDS V 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-20110275637-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS ADIPOR2, GPR119, ADIPOR1 MMP1 2010/4885MMP3 928/4885MMP7 1029/4885

“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.