SCHEMBL4901032

SCHEMBL4901032

CN(C)CCCOc1cccc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.55
HTR1B P28222 2/20 0.47
NOS1 P29475 7/20 0.47
NOS3 P29474 5/20 0.47
NOS2 P35228 4/20 0.47
FYN P06241 1/20 0.43
LSS P48449 1/20 0.42
TOP2A P11388 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4903520 0.92 HTR7 (0.66) HTR7HTR1BNOS1NOS3NOS2
SCHEMBL7529925 0.88 HTR7 (0.64) HTR7HTR1BLSSTOP2AKDM4E
SCHEMBL6304828 0.85 HTR7 (0.43) HTR7HTR1BKDM4EALDH1A1
SCHEMBL11578564 0.82 HTR7 (0.62) HTR7HTR1BLSSTOP2AKDM4E
SCHEMBL14108022 0.81 HTR7 (0.57) HTR7HTR1BLSSTOP2AKDM4E
SCHEMBL3133230 0.81 MCHR1 (0.55) HTR7NOS3NOS2KDM4EALDH1A1
SCHEMBL10662018 0.80 NOS1 (0.41) HTR7HTR1BNOS1NOS3NOS2
SCHEMBL2062738 0.79 MCHR1 (0.40) HTR7NOS1NOS3NOS2SMN1; SMN2
SCHEMBL18578440 0.79 MCHR1 (0.56)
SCHEMBL29545328 0.79 MCHR1 (0.56)

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 94/4885HTR1B 121/4885NOS1 2002/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE HTR7 91/4885HTR1B 77/4885NOS1 1674/4885
US-20080032975-A1 Substituted Fused Pyrroleoximes and Fused Pyrazoleoximes NPSR1, GABRE, CHRNE HTR7 94/4885HTR1B 121/4885NOS1 2002/4885

“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.