SCHEMBL2498210

SCHEMBL2498210

CN1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HRH4 Q9H3N8 2/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ BCL2A1 Q16548 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL2500623 0.90 RXFP1 (0.52) RXFP1LMNASMN1; SMN2MAPTMAPK1
SCHEMBL2495099 0.87 KDM4E (0.59) L3MBTL1LMNASMN1; SMN2MAPTNPC1
SCHEMBL12191226 0.81 SMN1; SMN2 (0.51) PDE4DSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL1880372 0.80 TP53 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL2498081 0.78 MLLT3 (0.46) LMNASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL2493717 0.78 ALDH1A1 (0.50) PDE4DL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL1879440 0.78 MEN1 (0.51) PDE4DSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL2497173 0.76 MLLT3 (0.46) PDE4DLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL530767 0.75 RXFP1 (0.79) L3MBTL1RXFP1LMNASMN1; SMN2MAPT
Dimethylformamide SCHEMBL27717186 0.75 MEN1 (0.44) RXFP1LMNASMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 — — US claimed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 — — EP claimed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 — — WO claimed
US-8030339-B2 Imidazole derivatives for the treatment of anxiety and related diseases NEUROSEARCH A/S (DK) 2011-10-04 — — US disclosed
US-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases NEUROSEARCH A/S (DK) 2009-09-17 — — US disclosed
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 — — EP disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 — — 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-20090233929-A1 Imidazole Derivatives for the Treatment of Anxiety and Related Diseases GABBR1, GABRB2, GABRB3 PDE4D 527/4885L3MBTL1 4234/4885HRH4 161/4885

“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.

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