SCHEMBL2994546

SCHEMBL2994546

CCOC(=O)N1CCc2sc(I)c(Br)c2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 3/20 0.42
POLB P06746 2/20 0.41
ACACA Q13085 1/20 0.41
ALDH1A1 P00352 7/20 0.40
ADORA1 P30542 1/20 0.39
NPSR1 Q6W5P4 6/20 0.39
TSHR P16473 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 2/20 0.39
MEN1 O00255 2/20 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
SCHEMBL1180375 0.86 MAPT (0.46) MAPTKDM4EGAARXFP1POLB
SCHEMBL2992491 0.84 MAPT (0.44) MAPTKDM4EGAARXFP1POLB
SCHEMBL1181645 0.81 MAPT (0.46) MAPTKDM4EGAARXFP1POLB
SCHEMBL3004283 0.81 ACACA (0.43) MAPTKDM4EGAARXFP1POLB
SCHEMBL1878380 0.79 MAPT (0.41) MAPTKDM4EGAARXFP1POLB
SCHEMBL1180562 0.79 MAPT (0.43) MAPTKDM4EGAARXFP1POLB
SCHEMBL2995547 0.77 MAPT (0.44) MAPTKDM4EGAARXFP1POLB
SCHEMBL1181696 0.75 ALDH1A1 (0.56) MAPTKDM4EGAARXFP1POLB
SCHEMBL3004061 0.75 MAPT (0.46) MAPTKDM4EGAARXFP1POLB
SCHEMBL3002194 0.73 MAPT (0.44) MAPTKDM4EGAARXFP1POLB

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
EP-1778243-B1 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS INC (US) 2012-10-31 EP disclosed
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators BENNANI YOUSSEF L 2010-07-29 US disclosed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US disclosed
US-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-01-05 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 (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-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators HTR5A, HTR4, HTR7 MAPT 4268/4885KDM4E 964/4885GAA 1179/4885
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators HTR5A, HTR4, HTR2C MAPT 4104/4885KDM4E 692/4885GAA 1250/4885

“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.