SCHEMBL5237102

SCHEMBL5237102

O=c1[nH]c2ccccc2nc1N1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.72
HRH4 Q9H3N8 2/20 0.72
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR6 P50406 2/20 0.49
PARP1 P09874 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
PLAUR Q03405 1/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OGFRL1 Q5TC84 1/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
Tert-Butyl Formate SCHEMBL27563615 0.87 HRH4 (0.59) HTR3AHRH4KDM4EALDH1A1HSD17B10
SCHEMBL31749043 0.86 HRH4 (0.74) HTR3AHRH4KDM4EALDH1A1HSD17B10
SCHEMBL3467563 0.84 HRH4 (1.00) HTR3AHRH4KDM4EALDH1A1HSD17B10
SCHEMBL31214382 0.84 HTR3A (0.70) HTR3AHRH4KDM4EALDH1A1HSD17B10
SCHEMBL31214324 0.84 HRH4 (0.70) HTR3AHRH4KDM4EALDH1A1HSD17B10
SCHEMBL13801322 0.82 HRH4 (0.72) HTR3AHRH4KDM4EALDH1A1HSD17B10
SCHEMBL605362 0.81 HRH4 (0.62) HTR3AHRH4KDM4EALDH1A1HSD17B10
SCHEMBL531762 0.81 HTR3A (1.00) HTR3AKDM4EALDH1A1HSD17B10HTR6
SCHEMBL603776 0.80 HRH4 (0.74) HTR3AHRH4HTR6PARP1TP53
SCHEMBL603257 0.80 HRH4 (0.60) HTR3AHRH4ALDH1A1HPGDTP53

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 HTR3A 11/4885HRH4 158/4885KDM4E 3661/4885

“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.