SCHEMBL3633783

SCHEMBL3633783

CCCC(=O)c1ccc(NCc2cnn(-c3ccccc3)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FRK P42685 1/20 0.45
CAMK2B Q13554 1/20 0.45
CAMK2G Q13555 1/20 0.45
CAMK2D Q13557 1/20 0.45
SLC27A1 Q6PCB7 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
P2RX7 Q99572 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 2/20 0.42
PKM P14618 2/20 0.42
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3634550 0.82 HDAC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2FRK
SCHEMBL3638178 0.81 FRK (0.47) NPC1RAB9AHPGDSMN1; SMN2FRK
SCHEMBL3637435 0.80 MEN1 (0.53) NPC1RAB9ASLC27A1P2RX7MAPT
SCHEMBL3638250 0.80 SLC27A1 (0.46) NPC1RAB9AHPGDSMN1; SMN2FRK
SCHEMBL3635760 0.76 EPHB3 (0.49) NPC1RAB9AHPGDSMN1; SMN2FRK
SCHEMBL3635755 0.76 LMNA (0.48) NPC1RAB9AHPGDSMN1; SMN2SLC27A1
SCHEMBL3638240 0.73 SMN1; SMN2 (0.49) NPC1RAB9AHPGDSMN1; SMN2FRK
SCHEMBL717003 0.72 GCG (0.48) RAB9AHDAC1MAPK1HDAC6ALDH1A1
SCHEMBL3637433 0.72 L3MBTL1 (0.48) NPC1RAB9AHPGDSMN1; SMN2FRK
SCHEMBL3639418 0.72 SMN1; SMN2 (0.54) NPC1RAB9AHPGDSMN1; SMN2FRK

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 claimed
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 NPC1 2174/4885RAB9A 2325/4885HPGD 994/4885

“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.