SCHEMBL1449456

SCHEMBL1449456

CN1C2CCCCC1C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.66
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MT-CO2 P00403 1/20 0.51
▸ ALOX5 P09917 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ F2 P00734 1/20 0.47
▸ PLG P00747 1/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CTSG P08311 1/20 0.47
▸ CMA1 P23946 1/20 0.47
▸ CTRC Q99895 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL1021890 0.97 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMT-CO2ALOX5
SCHEMBL1021889 0.93 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8383162 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMT-CO2ALOX5
SCHEMBL8383160 0.80 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMT-CO2ALOX5
SCHEMBL10008035 0.78 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL9055054 0.78 MEN1 (0.61) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL5739701 0.77 ADORA2A (0.60) ALDH1A1MEN1KMT2AMT-CO2ALOX5
Hydrochloric Acid SCHEMBL5965726 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3716740 0.76 ALDH1A1 (0.93) ALDH1A1MEN1KMT2AMT-CO2ALOX5
SCHEMBL7829113 0.76 ALDH1A1 (0.93) ALDH1A1MEN1KMT2AMT-CO2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910578-B2 8,10-diaza-bicyclo[4.3.1]decane derivatives and their medical use NEUROSEARCH A/S (DK) 2011-03-22 — — US disclosed
US-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE ANIONA APS (DK) 2009-04-16 — — US disclosed
EP-2029607-A1 NOVEL 8,10-DIAZA-BICYCLOÝ4.3.1¨DECANE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2009-03-04 — — EP disclosed
WO-2007135121-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-11-29 — — 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-20090099153-A1 NOVEL 8,10-DIAZA-BICYCLO[4.3.1]DECANE DERIVATIVES AND THEIR MEDICAL USE CHRNA10, CHRNA7, CHRNA3 ALDH1A1 1167/4885MEN1 3963/4885KMT2A 2568/4885

“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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