SCHEMBL17319367

SCHEMBL17319367

CC(Oc1ccccc1)c1ccc(Br)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
ADRA2B P18089 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
POLB P06746 1/20 0.38
ALOX5 P09917 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.36
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
PTGS1 P23219 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
AKR1C3 P42330 3/20 0.35

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
SCHEMBL17319366 0.82 AKR1C3 (0.41) SLC6A4ADRA2BADRA2AADRA2CMAOA
SCHEMBL17319355 0.81 SLC6A2 (0.45) SLC6A4ADRA2BADRA2AADRA2CMAOA
SCHEMBL14966813 0.77 FFAR1 (0.46) ADRA2BALOX5FFAR1LTB4RLTB4R2
SCHEMBL17319347 0.75 ALOX5 (0.46) SLC6A4ADRA2BADRA2AADRA2CMAOA
SCHEMBL22290422 0.75 IDO1 (0.49) SLC6A4ADRA2BADRA2AADRA2CMAOA
SCHEMBL30688646 0.75 IDO1 (0.49) SLC6A4ADRA2BADRA2AADRA2CMAOA
SCHEMBL17319365 0.75 SLC6A4 (0.49) SLC6A4ADRA2BADRA2AADRA2CMAOA
SCHEMBL14966937 0.74 TSHR (0.47) ADRA2BALOX5KDM4EFFAR1LTB4R
SCHEMBL2609188 0.73 LMNA (0.40) SLC6A4POLBKCNH2PTGS1LMNA
SCHEMBL4363303 0.72 FFAR1 (0.56) SLC6A4ADRA2BADRA2AADRA2CMAOA

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-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 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 (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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 SLC6A4 4609/4885ADRA2B 4401/4885ADRA2A 4460/4885

“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.