SCHEMBL2506687

SCHEMBL2506687

CCCCN1Cc2cc(NCc3cncc(-c4ccccc4)c3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
IDH1 O75874 1/20 0.37
PRF1 P14222 2/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MMP3 P08254 2/20 0.36
MMP2 P08253 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADRA2A P08913 1/20 0.35
KCNH2 Q12809 1/20 0.35
CYP11B2 P19099 1/20 0.35
PIK3CA P42336 1/20 0.34
MAOA P21397 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL2508327 0.85 HDAC6 (0.44) GRM5HDAC6IDH1PRF1KDM4E
SCHEMBL2505087 0.84 GRM5 (0.42) GRM5IDH1PRF1KDM4ELMNA
SCHEMBL2515759 0.84 MAPT (0.45) HDAC6KDM4ELMNAALDH1A1GAA
SCHEMBL2506138 0.83 GRM5 (0.46) GRM5IDH1PRF1KDM4ELMNA
SCHEMBL2514240 0.82 IDH1 (0.40) GRM5HDAC6IDH1PRF1KDM4E
SCHEMBL2509716 0.80 KDM4E (0.38) GRM5HDAC6IDH1KDM4ELMNA
SCHEMBL2510555 0.78 HDAC6 (0.40) GRM5HDAC6IDH1PRF1KDM4E
SCHEMBL2508431 0.78 GRM5 (0.41) GRM5IDH1PRF1KDM4ELMNA
SCHEMBL2505706 0.77 HDAC6 (0.42) GRM5HDAC6IDH1PRF1KDM4E
SCHEMBL2507290 0.77 HDAC6 (0.39) GRM5HDAC6IDH1PRF1KDM4E

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 2 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 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 GRM5 17/4885HDAC6 2366/4885IDH1 1460/4885

“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.