SCHEMBL1312938

SCHEMBL1312938

CCN(Cc1cc(C)nc(C)c1)C(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
KMT2A Q03164 5/20 0.45
HSD17B10 Q99714 1/20 0.44
GAA P10253 2/20 0.42
HTR1A P08908 1/20 0.42
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL1315510 0.80 POLB (0.55) POLBALDH1A1KDM4EUSP2ESR1
SCHEMBL12086329 0.80 POLB (0.86) POLBALDH1A1KDM4EHTR1ASMN1; SMN2
Hydrochloric Acid SCHEMBL1313021 0.79 POLB (0.54) POLBALDH1A1KDM4EUSP2ESR1
SCHEMBL20237064 0.77 KMT2A (0.48) POLBALDH1A1KDM4EUSP2ESR1
SCHEMBL20236106 0.73 POLB (0.50) POLBALDH1A1KDM4EUSP2ESR1
SCHEMBL20237063 0.73 ALDH1A1 (0.56) POLBALDH1A1KDM4EUSP2ESR1
SCHEMBL1310852 0.73 SMN1; SMN2 (0.41) POLBALDH1A1KDM4EUSP2ESR1
Hydrochloric Acid SCHEMBL1310210 0.72 SMN1; SMN2 (0.40) POLBALDH1A1KDM4EUSP2ESR1
SCHEMBL1313082 0.71 NOS3 (0.53) ALDH1A1KDM4EKMT2AHSD17B10MEN1
SCHEMBL1314501 0.71 MEN1 (0.59) POLBALDH1A1KDM4EKMT2AHSD17B10

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 6 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
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 POLB 3368/4885ALDH1A1 1875/4885KDM4E 2260/4885

“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.