SCHEMBL14967181

SCHEMBL14967181

Cc1cc(CN2CCCCC2)ccc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
HIF1A Q16665 1/20 0.56
MCHR1 Q99705 2/20 0.52
HRH3 Q9Y5N1 8/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6188428 0.87 HDAC6 (0.54) MCHR1HRH3ALDH1A1KDM4EHDAC6
SCHEMBL14966743 0.85 HRH3 (0.51) MCHR1HRH3L3MBTL1
SCHEMBL10396470 0.85 CRHBP (0.58) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL18374936 0.85 HTT (0.54) HIF1AMCHR1HRH3KMT2AALDH1A1
SCHEMBL27941363 0.85 SIGMAR1 (0.49) MCHR1HRH3MEN1KMT2AHDAC1
SCHEMBL14966756 0.84 KDM4E (0.52) MCHR1HRH3MEN1KMT2AALDH1A1
SCHEMBL10396462 0.84 CYP2D6 (0.58) CYP2D6CYP2C9HIF1AHRH3MEN1
SCHEMBL10397559 0.82 CYP2D6 (0.56) CYP2D6CYP2C9HIF1AHRH3MEN1
SCHEMBL7432216 0.80 CYP2D6 (0.54) CYP2D6CYP2C9HIF1AHRH3ALDH1A1
SCHEMBL23430815 0.79 HRH3 (0.63) CYP2D6HRH3ALDH1A1KDM4EPOLB

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 7 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
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 CYP2D6 1357/4885CYP2C9 1821/4885HIF1A 3577/4885

“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.