SCHEMBL2641018

SCHEMBL2641018

O=c1c(N2CCNCC2)nccn1CCOc1ccc2c(c1)CCCC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
HRH1 P35367 1/20 0.46
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL2641050 0.83 NCF1 (0.38) HRH3TSHRALDH1A1HPGDPARP1
SCHEMBL2641032 0.82 RXFP1 (0.42)
SCHEMBL2641162 0.82 HTR1A (0.43) HRH1ALDH1A1NPC1RAB9A
SCHEMBL2640994 0.82 HTR2C (0.43) HRH1LMNAALDH1A1RAB9A
SCHEMBL2641132 0.82 HTR2C (0.47) ALDH1A1
SCHEMBL2641342 0.81 HRH3 (0.48) HRH3HRH1
SCHEMBL2641243 0.81 MEN1 (0.44) HRH3ALOX15TSHRSMN1; SMN2LMNA
SCHEMBL2641416 0.80 HTR6 (0.46) TSHRSMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL2641223 0.80 HTR1A (0.40) HRH3LMNAALDH1A1
SCHEMBL2640922 0.80 HTR1A (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4831966-B2 2011-12-07 JP claimed
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
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP claimed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US claimed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 WO 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 HRH3 300/4885HRH1 180/4885ALOX15 1109/4885

“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.