SCHEMBL6275079

SCHEMBL6275079

CN(N)CC(O)CSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 8/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
EGFR P00533 1/20 0.40
BACE1 P56817 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL9326763 0.79 TSHR (0.46) MAOAMAOBCA1CA2CA4
SCHEMBL916141 0.79 MAOA (0.56) MAOAMAOBCA1CA2CA4
SCHEMBL12932621 0.78 EGFR (0.42) AOC3CA1CA2CA4CA7
SCHEMBL12932619 0.77 MAOA (0.47) AOC3MAOAMAOBMTNR1AMTNR1B
SCHEMBL1540520 0.76 HTR2A (0.47) MAOAMAOBCA1CA2CA4
SCHEMBL14565232 0.76 MAOA (0.53) MAOAMAOBCA1CA2CA4
SCHEMBL8857099 0.76 MAOA (0.53) MAOAMAOBCA1CA2CA4
Alcohol SCHEMBL914156 0.76 MAOA (0.53) MAOAMAOBCA1CA2CA4
SCHEMBL1496667 0.76 MAOA (0.53) MAOAMAOBCA1CA2CA4
SCHEMBL6272892 0.75 AOC3 (0.46) AOC3CA1CA2CA4CA7

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-20110021760-A1 CRYSTALLINE VAP-1 AND USES THEREOF SALMINEN TIINA 2011-01-27 US disclosed
US-20110021760-A1 CRYSTALLINE VAP-1 AND USES THEREOF SALMINEN TIINA 2011-01-27 US disclosed
US-7499847-B2 Crystalline VAP-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2009-03-03 US disclosed
US-7499847-B2 Crystalline VAP-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2009-03-03 US disclosed
US-20070093646-A1 Crystalline vap-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2007-04-26 US disclosed
US-20070093646-A1 Crystalline vap-1 and uses thereof BIOTIE THERAPIES CORPORATION (FI) 2007-04-26 US disclosed
WO-2005080319-A1 HYDRAZINO ALCOHOL DERIVATIVES USEFUL AS INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORPORATION (FI) 2005-09-01 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 (2 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-20070093646-A1 Crystalline vap-1 and uses thereof VCAM1, VAPB, VAPA AOC3 104/4885MAOA 1277/4885MAOB 1630/4885
US-20110021760-A1 CRYSTALLINE VAP-1 AND USES THEREOF VAPB, VCAM1, VAPA AOC3 111/4885MAOA 1327/4885MAOB 1679/4885

“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.