SCHEMBL3005587

SCHEMBL3005587

Fc1cccc(F)c1-c1csc2c1CCNCC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.41
APEX1 P27695 1/20 0.39
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
PNMT P11086 1/20 0.33
HTR3A P46098 1/20 0.31
HTR5A P47898 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL16518153 0.68 HTR5A (0.41) HTR7HTR2AHTR2CHTR2BPNMT
SCHEMBL6482347 0.66 HTR2A (0.49) HTR7HTR2AHTR2CHTR5A
SCHEMBL3001347 0.66 HTR2C (0.40) HTR7HTR2AHTR2CHTR2BPNMT
SCHEMBL2996134 0.65 PNMT (0.36) HTR7APEX1HTR2AHTR2CHTR2B
SCHEMBL2991516 0.65 HTR2C (0.41) HTR7HTR2AHTR2CHTR2BPNMT
SCHEMBL16518162 0.65 PARP1 (0.36) HTR7HTR2CPNMT
SCHEMBL16517992 0.65 PNMT (0.49) HTR2AHTR2CHTR2BPNMT
SCHEMBL16518079 0.65 PRCP (0.61) HTR2AHTR2CHTR2BPNMT
SCHEMBL21598835 0.62 HTR2A (0.42) APEX1HTR2AHTR2CHTR2BPNMT
SCHEMBL327075 0.60 CD44 (0.61) HTR2AHTR2CHTR2BPNMT

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 11 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 claimed
US-7718647-B2 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. (US) 2010-05-18 US claimed
EP-1778243-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-05-02 EP claimed
WO-2006004931-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-01-12 WO claimed
US-20060003990-A1 Substituted azepine derivatives as serotonin receptor modulators ATHERSYS, INC. 2006-01-05 US claimed
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
EP-1778243-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS Athersys, Inc. (US) 2007-05-02 EP disclosed
WO-2006004931-A2 SUBSTITUTED AZEPINE DERIVATIVES AS SEROTONIN RECEPTOR MODULATORS ATHERSYS, INC. (US) 2006-01-12 WO 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 HTR7 3/4885APEX1 4664/4885HTR2A 6/4885
US-20100190772-A1 Substituted Azepine Derivatives As Serotonin Receptor Modulators HTR5A, HTR4, HTR2C HTR7 7/4885APEX1 4673/4885HTR2A 5/4885

“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.