SCHEMBL1904404

SCHEMBL1904404

CC1CN(c2ccc(F)cc2Cl)CCN1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
HSD11B1 P28845 3/20 0.51
HTR2C P28335 1/20 0.45
BCL2A1 Q16548 2/20 0.44
XIAP P98170 1/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.39
BRPF1 P55201 2/20 0.39
BRD4 O60885 1/20 0.39
WEE1 P30291 5/20 0.39
CSNK1E P49674 1/20 0.38

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
SCHEMBL14922244 0.86 ALDH1A1 (0.48) ALDH1A1LMNAHSD11B1HTR2CBCL2A1
SCHEMBL21358964 0.85 LMNA (0.47) ALDH1A1LMNAHSD11B1HTR2CXIAP
SCHEMBL21358968 0.85 LMNA (0.47) ALDH1A1LMNAHSD11B1HTR2CXIAP
SCHEMBL21358963 0.85 LMNA (0.47) ALDH1A1LMNAHSD11B1HTR2CXIAP
SCHEMBL30952471 0.85 LMNA (0.47) ALDH1A1LMNAHSD11B1HTR2CXIAP
SCHEMBL30952442 0.85 LMNA (0.47) ALDH1A1LMNAHSD11B1HTR2CXIAP
SCHEMBL1901039 0.84 ALDH1A1 (0.63) ALDH1A1LMNAHSD11B1HTR2CBCL2A1
SCHEMBL1904488 0.84 ALDH1A1 (0.63) ALDH1A1LMNAHSD11B1HTR2CBCL2A1
SCHEMBL1901041 0.84 ALDH1A1 (0.63) ALDH1A1LMNAHSD11B1HTR2CBCL2A1
SCHEMBL22542066 0.83 ALDH1A1 (0.61) ALDH1A1LMNAHSD11B1HTR2CBCL2A1

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 10 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
EP-1979320-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 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-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators GRM5, GRM1, GRIN1 ALDH1A1 1480/4885LMNA 4061/4885HSD11B1 4313/4885

“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.