SCHEMBL7904498

SCHEMBL7904498

C=C(NCC(C)(C)c1ccccn1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NMBR P28336 2/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
PDE10A Q9Y233 1/20 0.36
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
PGR P06401 1/20 0.34
THRB P10828 1/20 0.34
ADRB3 P13945 1/20 0.34
OPRK1 P41145 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KCNH2 Q12809 1/20 0.34
PDE3A Q14432 1/20 0.34
SLC47A1 Q96FL8 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL11989032 0.82 ALDH1A1 (0.49) SMN1; SMN2L3MBTL1NMBRCYP1A2ALDH1A1
SCHEMBL11989403 0.77 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1CYP1A2ALDH1A1PDE10A
SCHEMBL25617019 0.73 NPC1 (0.47) SMN1; SMN2PDE10AHDAC6
SCHEMBL7909421 0.71 ALDH1A1 (0.58) SMN1; SMN2CYP1A2ALDH1A1HTTALOX15
SCHEMBL12705444 0.71 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CYP1A2ALDH1A1KDM4E
SCHEMBL24608558 0.70 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CYP1A2ALDH1A1KDM4E
SCHEMBL29750392 0.70 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1CYP1A2ALDH1A1KDM4E
SCHEMBL4728011 0.68 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CYP1A2ALDH1A1KDM4E
SCHEMBL13077728 0.67 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1CYP1A2ALDH1A1SLC22A2
SCHEMBL21883522 0.67 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1ALDH1A1KDM4EBLM

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-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8053438-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2011-11-08 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-03 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 (3 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-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A SMN1; SMN2 4522/4885L3MBTL1 4530/4885NMBR 4116/4885
US-20100137278-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A SMN1; SMN2 4522/4885L3MBTL1 4530/4885NMBR 4116/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D SMN1; SMN2 3555/4885L3MBTL1 3921/4885NMBR 1072/4885

“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.