SCHEMBL4890380

SCHEMBL4890380

CCN(CC)CCCOc1cc[c]c(C(N)=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.40
HRH3 Q9Y5N1 2/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GHSR Q92847 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL4898537 0.88 CHEK2 (0.42) KDM4EALDH1A1GAASMN1; SMN2ATM
SCHEMBL6309563 0.82 PARP10 (0.41) ALDH1A1KCNH2
SCHEMBL4898539 0.81 NCF1 (0.35) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2794698 0.81 IKBKB (0.37) CHEK1
SCHEMBL6950211 0.80 IKBKB (0.38) ALDH1A1GAA
SCHEMBL4066666 0.80 IKBKB (0.38) KDM4EAURKBIRAK4
SCHEMBL4890391 0.79 HTR1B (0.36) HTT
SCHEMBL4902861 0.78 HTR1B (0.37) KDM4EALDH1A1GAAHPGD
SCHEMBL6304823 0.76 CHEK1 (0.42) MAOBHRH3KDM4EALDH1A1SCN1A
SCHEMBL2791847 0.74 NNMT (0.49) KDM4EALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US claimed
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2005-03-17 US claimed
US-6852730-B2 Substituted fused pyrazolecarboxylic acid arylamides and related compounds NEUROGEN CORPORATION (US) 2005-02-08 US claimed
EP-1472252-A1 SUBSTITUTED FUSED PYRAZOLECARBOXYLIC ACID ARYLAMIDES AND RELATED COMPOUNDS Neurogen Corporation (US) 2004-11-03 EP claimed
EP-1453831-A1 1H-PYRROLO(3,2-B)PYRIDINE-3-CARBOXYLIC ACID AMIDES Neurogen Corporation (US) 2004-09-08 EP claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
US-20030216379-A1 Substituted fused pyrazolecarboxylic acid arylamides and related compounds NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-11-20 US claimed
WO-2003066634-A1 SUBSTITUTED FUSED PYRAZOLECARBOXYLIC ACID ARYLAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2003-08-14 WO claimed
EP-1326831-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2003-07-16 EP claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO claimed
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2002-09-12 US claimed
WO-2002020480-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2002-03-14 WO claimed
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2008-02-07 US disclosed
US-7282498-B2 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION (US) 2007-10-16 US disclosed
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2005-03-17 US disclosed
US-6852730-B2 Substituted fused pyrazolecarboxylic acid arylamides and related compounds NEUROGEN CORPORATION (US) 2005-02-08 US disclosed
US-20030216379-A1 Substituted fused pyrazolecarboxylic acid arylamides and related compounds NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-11-20 US disclosed
WO-2003066634-A1 SUBSTITUTED FUSED PYRAZOLECARBOXYLIC ACID ARYLAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2003-08-14 WO disclosed
EP-1326831-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2003-07-16 EP disclosed
WO-2002020480-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2002-03-14 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 (4 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-20030216379-A1 Substituted fused pyrazolecarboxylic acid arylamides and related compounds GABRA5, GABRA2, GABRA1 MAOB 399/4885HRH3 6/4885KDM4E 492/4885
US-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NPSR1, GABRE, CHRNE MAOB 1122/4885HRH3 235/4885KDM4E 986/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE MAOB 1141/4885HRH3 269/4885KDM4E 876/4885
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE MAOB 1122/4885HRH3 235/4885KDM4E 986/4885

“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.