SCHEMBL11989413

SCHEMBL11989413

CC(=O)N[C@@H](C)Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.56
PTPRA P18433 1/20 0.53
POLB P06746 1/20 0.52
MTNR1A P48039 6/20 0.50
MTNR1B P49286 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.49
FDPS P14324 1/20 0.49
CYP3A4 P08684 1/20 0.47
PTGFR P43088 1/20 0.47

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
SCHEMBL8385561 1.00 ACACB (0.56) ACACBPTPRAPOLBMTNR1AMTNR1B
SCHEMBL8385587 1.00 ACACB (0.56) ACACBPTPRAPOLBMTNR1AMTNR1B
SCHEMBL7481222 0.87 PTPRA (0.57) PTPRAPOLBSMN1; SMN2CYP1A2TSHR
SCHEMBL7336481 0.87 PTPRA (0.57) PTPRAPOLBSMN1; SMN2CYP1A2TSHR
SCHEMBL7897134 0.86 PTPRA (0.51) ACACBPTPRAPOLBSMN1; SMN2CYP1A2
SCHEMBL7906506 0.86 PTPRA (0.51) ACACBPTPRAPOLBSMN1; SMN2CYP1A2
SCHEMBL24016449 0.84 MTNR1A (0.51) ACACBPOLBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL14819096 0.84 POLB (0.53) ACACBPTPRAPOLBSMN1; SMN2CYP1A2
SCHEMBL12204079 0.82 ESR1 (0.50) PTPRAPOLBSMN1; SMN2CYP1A2TSHR
SCHEMBL7897139 0.81 PTPRA (0.58) PTPRAPOLBSMN1; SMN2CYP1A2TSHR

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-8329700-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-12-11 US disclosed
US-8318718-B2 Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-11-27 US disclosed
US-8247418-B2 Pyrazine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2012-08-21 US disclosed
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20110160182-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-06-30 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 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 ACACB 1462/4885PTPRA 1386/4885POLB 1289/4885
US-20110160202-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A ACACB 1462/4885PTPRA 1386/4885POLB 1289/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ACACB 1880/4885PTPRA 1133/4885POLB 539/4885

“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.