SCHEMBL3637951

SCHEMBL3637951

CCCC(=O)c1ccc(NCc2c(C)nn(C)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
SHMT2 P34897 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
FRK P42685 1/20 0.41
CAMK2B Q13554 1/20 0.41
CAMK2G Q13555 1/20 0.41
CAMK2D Q13557 1/20 0.41
SLC27A1 Q6PCB7 1/20 0.41
HSD17B3 P37058 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3635097 0.84 FRK (0.41) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3637435 0.82 MEN1 (0.53) RAB9ANPC1KMT2ASLC27A1
SCHEMBL3637505 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1L3MBTL1FRKCAMK2B
SCHEMBL3635056 0.80 MAPT (0.48) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3634550 0.78 HDAC1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3640813 0.78 FRK (0.41) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3635307 0.78 RAB9A (0.49) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3637750 0.77 CYP1A2 (0.48) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3635755 0.76 LMNA (0.48) RAB9ANPC1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3639107 0.76 FRK (0.47) KMT2ASMN1; SMN2L3MBTL1FRKCAMK2B

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 RAB9A 2325/4885NPC1 2174/4885KMT2A 595/4885

“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.