SCHEMBL14969006

SCHEMBL14969006

Brc1ccc2c(c1)CCC2Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.46
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
IDO1 P14902 2/20 0.40
GFRA3 O60609 1/20 0.40
RET P07949 1/20 0.40
FFAR1 O14842 4/20 0.39
SRD5A1 P18405 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR6 P50406 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
SCHEMBL14968921 0.91 IDO1 (0.43) SLC6A4DDB1CRBNIDO1FFAR1
SCHEMBL29279370 0.88 SLC6A4 (0.44) SLC6A4DDB1CRBNIDO1FFAR1
SCHEMBL31360588 0.83 IDO1 (0.50) SLC6A4IDO1GFRA3FFAR1SLC6A2
SCHEMBL5425164 0.81 FFAR1 (0.56) FFAR1
SCHEMBL13616844 0.81 FFAR1 (0.56) FFAR1
SCHEMBL12017975 0.80 IDO1 (0.61) SLC6A4DDB1CRBNIDO1GFRA3
SCHEMBL3081298 0.79 ROCK2 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL1745465 0.78 FFAR1 (0.49) GFRA3RETFFAR1
SCHEMBL30112223 0.78 BRD4 (0.48) SLC6A4IDO1SRD5A1SLC6A2
SCHEMBL14969169 0.78 KDM5A (0.46) DDB1CRBNGFRA3RETFFAR1

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 6 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
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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 (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 4609/4885DDB1 1029/4885CRBN 411/4885

“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.