SCHEMBL1900797

SCHEMBL1900797

O=C(COCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 9/20 1.00
▸ ALDH1A1 P00352 3/20 0.72
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ HTR1A P08908 3/20 0.61
▸ HTR7 P34969 2/20 0.61
▸ MAPT P10636 1/20 0.60
▸ ENPP2 Q13822 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ TSHR P16473 1/20 0.59

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
SCHEMBL12670034 0.90 GRM5 (0.82) GRM5ALDH1A1ENPP2
SCHEMBL1902638 0.88 GRM5 (1.00) GRM5ALDH1A1SMN1; SMN2MAPT
SCHEMBL1906328 0.88 GRM5 (1.00) GRM5MEN1KMT2AHTR1AHTR7
SCHEMBL1903623 0.87 GRM5 (0.77) GRM5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1902053 0.86 GRM5 (0.76) GRM5ALDH1A1MEN1KMT2AHTR1A
SCHEMBL27736419 0.86 GRM5 (0.75) GRM5ALDH1A1MEN1KMT2AMAPT
SCHEMBL1903223 0.84 GRM5 (1.00) GRM5
SCHEMBL1902228 0.83 GRM5 (0.85) GRM5
SCHEMBL1902051 0.83 GRM5 (0.74) GRM5ALDH1A1
SCHEMBL13149405 0.82 MAPT (0.80) GRM5ALDH1A1MEN1KMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101405266-A Piperazines and piperidines as mGlur5 potentiators ASTRAZENECA AB (SE) 2009-04-08 — — CN claimed
US-20090023711-A1 Piperazines and Piperidines as Mglur5 Potentiators ASTRAZENECA AB (SE) 2009-01-22 — — US claimed
EP-1979320-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS AstraZeneca AB (SE) 2008-10-15 — — EP claimed
WO-2007087135-A2 PIPERAZINES AND PIPERIDINES AS mGluR5 POTENTIATORS ASTRAZENECA AB (SE) 2007-08-02 — — WO claimed
US-7935703-B2 Piperazines and piperidines as Mglur5 potentiators ASTRAZENECA AB (SE) 2011-05-03 — — US disclosed
CN-101405266-A Piperazines and piperidines as mGlur5 potentiators ASTRAZENECA AB (SE) 2009-04-08 — — CN 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

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 GRM5 1/4885ALDH1A1 1480/4885MEN1 3974/4885

“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.

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