SCHEMBL5236631

SCHEMBL5236631

Cn1c(=O)c(N2CCNCC2)nc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ OGFRL1 Q5TC84 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ HTR3A P46098 4/20 0.49
▸ HTR3E A5X5Y0 2/20 0.49
▸ HTR3B O95264 2/20 0.49
▸ HTR3D Q70Z44 2/20 0.49
▸ HTR3C Q8WXA8 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49

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
SCHEMBL2709699 0.81 HTR3A (0.63) HTR3A
Hydrochloric Acid SCHEMBL29689100 0.80 HTR3A (0.62) HTR3A
SCHEMBL5237268 0.79 TOP2A (0.52) OPRM1OPRD1OPRK1OGFRL1KDM4E
SCHEMBL21547987 0.79 OGFRL1 (0.74) OPRM1OPRD1OPRK1OGFRL1
Hydrochloric Acid SCHEMBL5500127 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL5497283 0.79 ADRB1 (0.52) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL28610794 0.77 HSD17B10 (0.67) KDM4EALDH1A1HTR3AHTR3EHTR3B
SCHEMBL5496623 0.77 OPRM1 (0.53) OPRM1OPRD1OPRK1OGFRL1ALDH1A1
SCHEMBL6777038 0.77 HTR3A (0.58) HTR3A
SCHEMBL5500093 0.76 ADRB1 (0.54) OPRM1OPRD1OPRK1OGFRL1HTR3A

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 OPRM1 19/4885OPRD1 40/4885OPRK1 39/4885

“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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