SCHEMBL5747435

SCHEMBL5747435

O=C(OCc1ccccc1)N1CCN2c3cc(Cl)ccc3NCC2C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.43
BIRC2 Q13490 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.42
OPRK1 P41145 1/20 0.41
AVPR1A P37288 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRM5 P41594 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP30 Q70CQ3 1/20 0.41
HTR2C P28335 1/20 0.39
TRPC3 Q13507 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38
GRIN2B Q13224 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
SCHEMBL5131710 0.82 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AOPRK1CYP2C19
SCHEMBL7100926 0.82 HTR2C (0.48) XIAPBIRC2SMN1; SMN2NPC1RAB9A
SCHEMBL18159771 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18149461 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL18159775 0.81 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23102342 0.76 GRIN2B (0.41) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30816015 0.76 GRIN2B (0.41) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL11445289 0.76 PTGDR2 (0.45) XIAPBIRC2SMN1; SMN2NPC1RAB9A
SCHEMBL5872510 0.73 PTGDR2 (0.44) XIAPBIRC2SMN1; SMN2NPC1RAB9A
SCHEMBL7830999 0.73 PTGDR2 (0.44) XIAPBIRC2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345942-B9 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-11-15 EP disclosed
EP-1345942-B1 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-03-01 EP disclosed
US-6638934-B2 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoxaline derivatives; treating depression, schizophrenia; (5-hydroxytryptamine=5HT) 5HT2a antagonist or a 5HT2c agonist BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-28 US disclosed
US-20020177596-A1 Substituted pyrazinoquinoxaline derivatives as serotonin receptor agonist and antagonists ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-28 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-20020177596-A1 Substituted pyrazinoquinoxaline derivatives as serotonin receptor agonist and antagonists ligands HTR1A, HTR5A, HTR1D XIAP 3835/4885BIRC2 4775/4885SMN1; SMN2 2901/4885

“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.