SCHEMBL3637490

SCHEMBL3637490

COc1ccccc1Oc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
NTRK1 P04629 1/20 0.40
CACNA1B Q00975 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAOA P21397 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACP1 P24666 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
ERBB2 P04626 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL3638627 0.90 MAPT (0.47) NTRK1MAPTGAAALDH1A1L3MBTL1
SCHEMBL3636992 0.87 CACNA1B (0.44) CCNE1CDK2CACNA1BMAPTHTT
SCHEMBL3635851 0.87 ERBB2 (0.47) CCNE1CDK2MAPTGAAACP1
SCHEMBL3636308 0.84 NTRK1 (0.48) NTRK1MAPTGAAALDH1A1MAPK1
SCHEMBL3641215 0.83 MAPT (0.44) NTRK1CACNA1BMAPTMAPK1
SCHEMBL3639652 0.83 ERBB2 (0.48) CACNA1BMAPTGAAALDH1A1L3MBTL1
SCHEMBL3637888 0.82 CSF1R (0.42) CCNE1CDK2NTRK1MAPTGAA
SCHEMBL3634547 0.81 CLK1 (0.46) CCNE1CDK2NTRK1MAPTERBB2
SCHEMBL3636746 0.81 HDAC1 (0.51) NTRK1MAPTGAAACP1RAB9A
SCHEMBL3637301 0.80 MAPT (0.48) CACNA1BMAPTHTTMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242933-B2 Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2 (mGlu2 receptor) AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-26 US disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 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-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 CCNE1 4715/4885CDK2 1249/4885NTRK1 446/4885

“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.