SCHEMBL5409166

SCHEMBL5409166

Fc1cnc(Cl)nc1CS

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
RPS6KA5 O75582 1/20 0.33
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL14390103 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL15282441 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL8664351 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL23695123 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL1427749 0.78 ALDH1A1 (0.41) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL1554936 0.76 ALDH1A1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL24922312 0.75 ALDH1A1 (0.39) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL15321296 0.75 ALDH1A1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMAPT
SCHEMBL1143136 0.71
SCHEMBL19250319 0.71

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220753-B2 2,7-substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors PFIZER INC. (US) 2007-05-22 US disclosed
US-20040214830-A1 2,7-Substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors DESAI KISHOR A 2004-10-28 US disclosed
US-20030055061-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors PFIZER INC. 2003-03-20 US disclosed
US-20020132811-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors DESAI KISHOR A (US) 2002-09-19 US disclosed
EP-0783503-B1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[ 1,2-A]PYRAZINE DERIVATIVES PFIZER (US) 2001-11-28 EP disclosed
US-6231833-B1 ADMINISTERING TO THE MAMMAL FOR TREATING SEROTONIN SYSTEM RELATED DISORDERS AN EFFECTIVE AMOUNT OF 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO(1,2-A)PYRAZINE DERIVATIVE AS LIGANDS FOR SEROTONIN RECEPTOR PFIZER INC 2001-05-15 US disclosed
EP-1074257-A1 2,7-Substituted octahydro-1H-pyrido (1,2-A)pyrazine derivatives as ligands for serotonin receptors Pfizer Products Inc. (US) 2001-02-07 EP disclosed
US-5852031-A 2,7-substituted octahydro-1H-pyrido 1,2-a!pyrazine derivatives PFIZER INC. (US) 1998-12-22 US disclosed
EP-0783503-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO 1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1997-07-16 EP disclosed
WO-1996010571-A1 2,7-SUBSTITUTED OCTAHYDRO-1H-PYRIDO[1,2-a]PYRAZINE DERIVATIVES PFIZER INC. (US) 1996-04-11 WO 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-20020132811-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A ALDH1A1 688/4885L3MBTL1 4277/4885SMN1; SMN2 3394/4885
US-20040214830-A1 2,7-Substituted octahydro-1H-pyrido[1,2-a]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A ALDH1A1 688/4885L3MBTL1 4277/4885SMN1; SMN2 3394/4885
US-20030055061-A1 2,7-substituted octahydro-1H-pyrido[1,2-A]pyrazine derivatives as ligands for serotonin receptors HTR2C, HTR1A, HTR3A ALDH1A1 688/4885L3MBTL1 4277/4885SMN1; SMN2 3394/4885

“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.