SCHEMBL2027112

SCHEMBL2027112

CN1CCN(c2cc(Cl)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
GRM2 Q14416 2/20 0.46
TSHR P16473 1/20 0.40
ABL1 P00519 1/20 0.39
TRPV4 Q9HBA0 4/20 0.39
CHRM5 P08912 1/20 0.38
DDR1 Q08345 1/20 0.38
GRIN2B Q13224 2/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
CYP2C9 P11712 1/20 0.37
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL2028589 0.90 GRM2 (0.53) ALDH1A1GRM2TSHRABL1TRPV4
SCHEMBL2026819 0.90 ALDH1A1 (0.44) ALDH1A1GRM2TSHRABL1HCRTR1
SCHEMBL2022402 0.89 GRM2 (0.44) ALDH1A1GRM2TSHRCHRM5GRIN2B
SCHEMBL2022427 0.89 GRM2 (0.45) ALDH1A1GRM2TSHRABL1CHRM5
SCHEMBL2021006 0.89 ALDH1A1 (0.49) ALDH1A1GRM2TSHRABL1TRPV4
SCHEMBL8272740 0.88 ALDH1A1 (0.48) ALDH1A1GRM2TSHRABL1TRPV4
SCHEMBL2022488 0.87 GRM2 (0.51) ALDH1A1GRM2TSHRABL1TRPV4
SCHEMBL2025780 0.86 GRM2 (0.41) ALDH1A1GRM2TSHRCHRM5GRIN2B
SCHEMBL2023451 0.86 GRM2 (0.42) ALDH1A1GRM2TSHRCHRM5
SCHEMBL2028375 0.85 LSS (0.48) ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US claimed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 ALDH1A1 1582/4885GRM2 4/4885TSHR 408/4885

“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.