SCHEMBL1904086

SCHEMBL1904086

COC(=O)C=Cc1cc(Br)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.46
TTR P02766 1/20 0.42
APP P05067 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL1904084 1.00 KCNA3 (0.46) KCNA3TTRAPPCA12CA1
SCHEMBL4081161 1.00 KCNA3 (0.46) KCNA3TTRAPPCA12CA1
SCHEMBL17158666 0.82 TTR (0.47) KCNA3TTRCA12CA1CA2
SCHEMBL4395717 0.81 TTR (0.41) TTRAPPCA12CA1CA2
SCHEMBL4395722 0.81 TTR (0.41) TTRAPPCA12CA1CA2
SCHEMBL12781027 0.81 TUBB4A (0.49) TTRAPPCA12CA1CA2
SCHEMBL22870124 0.80 ALDH1A1 (0.42) TTRAPPCA12CA1CA2
SCHEMBL29088376 0.80 ALDH1A1 (0.42) TTRAPPCA12CA1CA2
SCHEMBL1432879 0.79 TTR (0.40) TTRAPPCA12CA1CA2
SCHEMBL380483 0.78 HCAR2 (0.48) KCNA3TTRAPPCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981919-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2011-07-19 US disclosed
EP-1796663-B1 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2011-05-04 EP disclosed
EP-1796663-A4 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2009-08-05 EP disclosed
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators BENNANI YOUSSEF L 2009-03-12 US disclosed
US-7423056-B2 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. (US) 2008-09-09 US disclosed
EP-1796663-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-06-20 EP disclosed
US-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators ATHERSYS, INC. 2006-04-13 US disclosed
WO-2006028961-A2 TRICYCLIC HETEROARYL PIPERAZINES, PYRROLIDINES AND AZETIDINES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-03-16 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-20060079567-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A KCNA3 971/4885TTR 4028/4885APP 2644/4885
US-20090069365-A1 Tricyclic heteroaryl piperazines, pyrrolidines and azetidines as serotonin receptor modulators HTR5A, HTR2C, HTR2A KCNA3 971/4885TTR 4028/4885APP 2644/4885

“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.