SCHEMBL5232698

SCHEMBL5232698

O=c1c(N2CCNCC2)nc2ccccc2n1CCOc1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ OGFRL1 Q5TC84 1/20 0.44
▸ SOS1 Q07889 1/20 0.43
▸ HTR3A P46098 6/20 0.43
▸ GRM2 Q14416 1/20 0.40

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
SCHEMBL5238291 0.81 OPRM1 (0.52) OPRM1OPRD1OPRK1OGFRL1
SCHEMBL5237268 0.74 TOP2A (0.52) OPRM1OPRD1OPRK1OGFRL1HTR3A
SCHEMBL2641109 0.74 HTR2C (0.39) KCNH2HTR2C
SCHEMBL2641292 0.71 HTR2C (0.41) KCNH2HTR2C
SCHEMBL2641252 0.71 HTR2C (0.37) KCNH2HTR2C
SCHEMBL5236631 0.70 OPRM1 (0.55) HTR2COPRM1OPRD1OPRK1OGFRL1
SCHEMBL5496623 0.70 OPRM1 (0.53) HTR2COPRM1OPRD1OPRK1OGFRL1
SCHEMBL2639270 0.70 HTR2C (0.39) KCNH2HTR2C
Hydrochloric Acid SCHEMBL5500944 0.69 OPRM1 (0.52) HTR2COPRM1OPRD1OPRK1OGFRL1
SCHEMBL4328995 0.68 KCNH2 (0.40) KCNH2HTR2C

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 8 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 claimed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 — — EP claimed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 — — US claimed
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 PDE5A 941/4885KCNH2 1553/4885HTR2C 3/4885

“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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