SCHEMBL4901023

SCHEMBL4901023

CN(C)CCCOc1cccc(C(N)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
CHEK2 O96017 3/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1B P28222 1/20 0.42
CHEK1 O14757 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4903513 0.93 HTR7 (0.57) HTR7CHEK2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6304823 0.87 CHEK1 (0.42) KDM4EALDH1A1SMN1; SMN2CHEK1
SCHEMBL3133224 0.84 OPRM1 (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL6305396 0.82 KCNH2 (0.41) CHEK2
SCHEMBL7529925 0.81 HTR7 (0.64) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL3126906 0.81 HTR1A (0.42) CHEK2CHEK1
SCHEMBL6305633 0.80 KCNH2 (0.42) CHEK2ALDH1A1
SCHEMBL28402315 0.79 HTR7 (0.59) HTR7KDM4EALDH1A1SMN1; SMN2HTR1B
SCHEMBL3924036 0.79 MAPK8 (0.54) MAPT
SCHEMBL6388273 0.78 OPRM1 (0.45) HTR1B

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 9 patents. 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
EP-1326831-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2003-07-16 EP 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-6743817-B2 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR BRAIN RECEPTORS; ANXIOLYTICS, ANTIDEPRESSANTS, TREATING SLEEP AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2004-06-01 US 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 (3 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-20050059826-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NPSR1, GABRE, CHRNE HTR7 94/4885CHEK2 2012/4885KDM4E 986/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE HTR7 91/4885CHEK2 1830/4885KDM4E 876/4885
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE HTR7 94/4885CHEK2 2012/4885KDM4E 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.