SCHEMBL2510455

SCHEMBL2510455

CCCCN1Cc2cc(OCc3c(-c4ccccc4)cc(C)nc3C)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.42
GRM5 P41594 2/20 0.39
F10 P00742 1/20 0.38
GABRA1 P14867 1/20 0.38
ITGB3 P05106 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGAV P06756 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
IDH1 O75874 1/20 0.36
GRM1 Q13255 2/20 0.36
PRF1 P14222 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
SCHEMBL2508800 0.91 PSEN1 (0.44) ADAM17GRM5F10GABRA1ITGB3
SCHEMBL2510481 0.86 ADAM17 (0.42) ADAM17GRM5F10GABRA1ITGB3
SCHEMBL2510944 0.83 IDH1 (0.42) GRM5F10ITGB3ITGA2BIDH1
SCHEMBL2510555 0.82 HDAC6 (0.40) GRM5KDM4EALDH1A1LMNAGAA
SCHEMBL3640741 0.77 ADAM17 (0.41) ADAM17GRM5F10ITGB3KDM4E
SCHEMBL2510553 0.77 GRM5 (0.39) GRM5KDM4EALDH1A1LMNAGAA
SCHEMBL2508431 0.74 GRM5 (0.41) ADAM17GRM5F10ITGB3KDM4E
SCHEMBL2507478 0.73 ITGB3 (0.44) ADAM17GRM5F10ITGB3KDM4E
SCHEMBL2512141 0.73 ITGB3 (0.37) ADAM17GRM5F10ITGB3ALDH1A1
SCHEMBL2510033 0.73 EGFR (0.43) ADAM17GRM5F10ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US claimed
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I ABBOTT GMBH & CO. KG (DE) 2011-10-06 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-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B ADAM17 4739/4885GRM5 17/4885F10 4004/4885

“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.