SCHEMBL5237268

SCHEMBL5237268

CN(C)CCn1c(=O)c(N2CCNCC2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.52
▸ HTR3A P46098 7/20 0.49
▸ POLB P06746 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ OGFRL1 Q5TC84 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RPS6KA2 Q15349 1/20 0.44

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
SCHEMBL5236631 0.79 OPRM1 (0.55) HTR3APOLBOPRM1OPRD1OPRK1
SCHEMBL5549623 0.76 TOP2A (0.60) TOP2AHTR3APOLBOPRD1OPRK1
SCHEMBL5232698 0.74 PDE5A (0.45) HTR3AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL21547987 0.71 OGFRL1 (0.74) OPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL5500127 0.71 OPRM1 (0.55) HTR3AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL5497283 0.71 ADRB1 (0.52) HTR3AOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9534952 0.71 KCNH2 (0.61) TOP2APOLBKDM4EALDH1A1HPGD
SCHEMBL15139648 0.70 PKM (0.70) TOP2APOLBKDM4EALDH1A1HPGD
SCHEMBL5166005 0.70 MAPK1 (0.58) KDM4EALDH1A1HPGD
SCHEMBL7432371 0.69 HTR3A (0.74) HTR3AKDM4E

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-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 — — US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 — — EP disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 — — EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 — — US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 — — 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 (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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C TOP2A 1397/4885HTR3A 11/4885POLB 3400/4885

“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.

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