SCHEMBL1313082

SCHEMBL1313082

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
HTT P42858 2/20 0.51
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TGFBR1 P36897 1/20 0.45
RAB9A P51151 1/20 0.44
ABCC1 P33527 1/20 0.43
CNR2 P34972 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PKM P14618 1/20 0.42

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 SCHEMBL1315762 0.99 NOS3 (0.52) NOS3NOS1HTTKMT2AMEN1
SCHEMBL17346763 0.78 NOS3 (0.56) NOS3NOS1HTTKMT2AMEN1
SCHEMBL1316827 0.77 NAMPT (0.62) NOS3NOS1HTTKMT2AMEN1
SCHEMBL8393626 0.76 USP2 (0.64) NOS3NOS1HTTKMT2AMEN1
SCHEMBL1314501 0.74 MEN1 (0.59) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL5146518 0.74 NOS3 (0.59) NOS3NOS1HTTKMT2AMEN1
Hydrochloric Acid SCHEMBL1313294 0.73 MEN1 (0.58) KMT2AMEN1HSD17B10ALDH1A1KDM4E
SCHEMBL20236868 0.72 NOS3 (0.61) NOS3NOS1HTTKMT2AMEN1
SCHEMBL2480695 0.72 USP2 (0.45) KMT2AMEN1ALDH1A1TSHR
SCHEMBL1313403 0.72 LMNA (0.58) NOS3NOS1KMT2AMEN1ALDH1A1

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 4 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
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

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 NOS3 1898/4885NOS1 2021/4885HTT 3444/4885

“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.