SCHEMBL3243594

SCHEMBL3243594

CN1CCC[C@@H]2C(=O)N3c4ccccc4C[C@H]3[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 2/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL3243592 1.00 NOTUM (0.40) NOTUMMEN1KMT2ADRD2CHRNB4
SCHEMBL3236813 1.00 NOTUM (0.40) NOTUMMEN1KMT2ADRD2CHRNB4
SCHEMBL3242670 0.83 NOTUM (0.45) NOTUMDRD2GRIN2DGRIN3BGRIN1
SCHEMBL3244854 0.83 SRD5A1 (0.37) NOTUMOPRM1
SCHEMBL3243679 0.81 GRIN2D (0.41) KMT2AOPRM1OPRK1GRIN2DGRIN3B
SCHEMBL3250303 0.79 MEN1 (0.37) NOTUMMEN1KMT2ADRD2CHRNB4
SCHEMBL3239192 0.78 NOTUM (0.36) NOTUMMEN1KMT2AOPRM1OPRK1
SCHEMBL3242333 0.78 HTR1A (0.41) DRD2
SCHEMBL3239203 0.78 HTR1A (0.41) DRD2
SCHEMBL3248230 0.78 HTR1A (0.41) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP claimed
EP-2102204-B1 NEW AMINOPYRROLO[1,2- A]INDOLE ET AMINOPYRIDAZINO[1,6-A]INDOLE DERIVATIVES, METHOD FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SERVIER LAB (FR) 2010-05-05 EP disclosed
US-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES LES LABORATOIRES SERVIER (FR) 2009-12-03 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 (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-20090298813-A1 USE OF NEUROPROTECTIVE COMPOUNDS IN OBTAINING MEDICAMENTS INTENDED FOR THE TREATMENT OF NEURODEGENERATING DISEASES NLN, GAP43, SNCA NOTUM 2208/4885MEN1 3021/4885KMT2A 4227/4885

“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.