SCHEMBL3636665

SCHEMBL3636665

Cc1ncccc1NCc1c[nH]nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.39
CSF1R P07333 1/20 0.38
KIT P10721 1/20 0.38
TOP1 P11387 1/20 0.38
BRD4 O60885 1/20 0.38
CRHR1 P34998 1/20 0.37
KDM4E B2RXH2 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACP1 P24666 1/20 0.35
IL1B P01584 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3637638 0.88 KDM4E (0.40) TRPV1CSF1RKITTOP1BRD4
SCHEMBL3638900 0.88 SLC22A12 (0.39) TRPV1CSF1RKITBRD4KDM4E
SCHEMBL3637494 0.85 ERBB2 (0.45) TRPV1KDM4EL3MBTL1ACP1POLB
SCHEMBL3637553 0.84 NTRK1 (0.38) CRHR1KDM4EACP1TP53POLB
SCHEMBL3632483 0.83 TP53 (0.43) TRPV1CRHR1L3MBTL1ACP1TP53
SCHEMBL3633893 0.81 HDAC1 (0.45) CSF1RKITKDM4EL3MBTL1ACP1
SCHEMBL3639652 0.81 ERBB2 (0.48) KDM4EL3MBTL1ACP1GAAMAPT
SCHEMBL3639433 0.80 ERBB2 (0.45) TRPV1KDM4EL3MBTL1ACP1
SCHEMBL3636802 0.80 NPC1 (0.47) CSF1RKITKDM4EL3MBTL1TP53
SCHEMBL3638835 0.80 SLC22A12 (0.38) CSF1RKITCRHR1ACP1TP53

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 5 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
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 TRPV1 164/4885CSF1R 1747/4885KIT 4445/4885

“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.