SCHEMBL1901039

SCHEMBL1901039

C[C@H]1CN(c2ccc(Cl)cc2Cl)CCN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
NOTUM Q6P988 1/20 0.49
BCL2A1 Q16548 2/20 0.46
HTR2C P28335 1/20 0.44
XIAP P98170 5/20 0.44
BIRC2 Q13490 5/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
WEE1 P30291 3/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 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
SCHEMBL1904488 1.00 ALDH1A1 (0.63) ALDH1A1LMNANOTUMBCL2A1HTR2C
SCHEMBL1901041 1.00 ALDH1A1 (0.63) ALDH1A1LMNANOTUMBCL2A1HTR2C
SCHEMBL2249569 0.86 ALDH1A1 (0.52) ALDH1A1LMNABCL2A1HTR2CXIAP
SCHEMBL13428921 0.86 ALDH1A1 (0.52) ALDH1A1LMNABCL2A1HTR2CXIAP
SCHEMBL1847071 0.86 ALDH1A1 (0.52) ALDH1A1LMNABCL2A1HTR2CXIAP
SCHEMBL22542053 0.86 ALDH1A1 (0.61) ALDH1A1LMNABCL2A1HTR2CXIAP
SCHEMBL22542066 0.86 ALDH1A1 (0.61) ALDH1A1LMNABCL2A1HTR2CXIAP
SCHEMBL1904404 0.84 ALDH1A1 (0.60) ALDH1A1LMNABCL2A1HTR2CXIAP
SCHEMBL4933476 0.83 HTT (0.51) ALDH1A1LMNANOTUMBCL2A1MAPK13
SCHEMBL4933480 0.83 HTT (0.51) ALDH1A1LMNANOTUMBCL2A1MAPK13

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-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 US disclosed
EP-1979320-B1 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 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-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators GRM5, GRM1, GRIN1 ALDH1A1 1480/4885LMNA 4061/4885NOTUM 4291/4885

“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.