SCHEMBL3637553

SCHEMBL3637553

Cc1ccc(NCc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.38
NTRK2 Q16620 1/20 0.38
ACP1 P24666 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
FFAR1 O14842 1/20 0.35
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
DHFR P00374 2/20 0.34
PTPN1 P18031 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
CRHR1 P34998 2/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL3636665 0.84 TRPV1 (0.39) ACP1POLBKDM4EGAATP53
SCHEMBL3638326 0.82 NPSR1 (0.45) POLBNPC1RAB9AGAAMAPT
SCHEMBL3636773 0.82 MAPT (0.42) ACP1POLBNPC1KDM4ERAB9A
SCHEMBL3637494 0.82 ERBB2 (0.45) ACP1POLBKDM4ERAB9AGAA
SCHEMBL3637710 0.81 PPARD (0.38) ACP1POLBKDM4EGAATP53
SCHEMBL3637970 0.80 SORT1 (0.38) POLBFFAR1GAATP53MAPT
SCHEMBL3632483 0.80 TP53 (0.43) ACP1POLBRAB9AGAATP53
SCHEMBL3640421 0.80 GAA (0.43) ACP1POLBGAATP53MAPT
SCHEMBL3640872 0.80 HDAC1 (0.43) NTRK1POLBFFAR1GAATP53
SCHEMBL3637847 0.80 ACP1 (0.38) ACP1KDM4ERAB9ADHFRPPARD

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 6 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
CN-101687790-B Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBVIE INC 2015-02-11 CN 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
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN 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 NTRK1 446/4885NTRK2 240/4885ACP1 3021/4885

“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.