SCHEMBL1314501

SCHEMBL1314501

Cc1cc(COC(=O)N2CCOCC2)cc(C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TSHR P16473 3/20 0.55
RECQL P46063 1/20 0.51
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 3/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41

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 SCHEMBL1313294 0.99 MEN1 (0.58) MEN1KMT2ANPSR1TSHRRECQL
SCHEMBL1312291 0.84 TMEM97 (0.45) MEN1KMT2ANPSR1HSD17B10POLB
SCHEMBL1314020 0.84 MAPT (0.45) MEN1KMT2ANPSR1HSD17B10POLB
Hydrochloric Acid SCHEMBL1313239 0.83 MAPT (0.44) MEN1KMT2ANPSR1HSD17B10POLB
SCHEMBL1315633 0.83 SLC29A1 (0.42) MEN1KMT2ANPSR1HSD17B10POLB
Hydrochloric Acid SCHEMBL1313452 0.82 SLC29A1 (0.41) MEN1KMT2ANPSR1HSD17B10POLB
SCHEMBL1312424 0.82 MAPT (0.46) MEN1KMT2AHSD17B10POLBLMNA
Hydrochloric Acid SCHEMBL1312266 0.81 ALDH1A1 (0.45) MEN1KMT2ATSHRHSD17B10POLB
SCHEMBL1313066 0.80 MEN1 (0.59) MEN1KMT2ANPSR1TSHRRECQL
SCHEMBL6236015 0.79 MEN1 (0.62) MEN1KMT2ANPSR1TSHRSMN1; 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 8 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
WO-2009147211-A1 NEW COMPOUNDS V BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO 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 MEN1 3508/4885KMT2A 2294/4885NPSR1 169/4885

“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.