SCHEMBL17420178

SCHEMBL17420178

CCC1CCN(CC(C)(C)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
HTR4 Q13639 2/20 0.34
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
TLR9 Q9NR96 3/20 0.32
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
CACNA1I Q9P0X4 1/20 0.31
GNAO1 P09471 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL12233081 0.83 GNAO1 (0.33) GNAO1
SCHEMBL16095550 0.82 CYP3A4 (0.34) CYP3A4HTR4TLR9TLR8TLR7
SCHEMBL16095117 0.79 CYP3A4 (0.36) CYP3A4HTR4GNAO1
SCHEMBL16095435 0.79 GNAO1 (0.31) GNAO1
SCHEMBL24493464 0.79 HTR4 (0.37) CYP3A4HTR4TLR9TLR8TLR7
SCHEMBL18701036 0.79 HTT (0.34) CYP3A4HTR4TLR9TLR8TLR7
SCHEMBL3656107 0.78 KDM4E (0.42) CYP3A4TLR9TLR8TLR7KDM4E
SCHEMBL22542277 0.78 PER2 (0.31)
SCHEMBL18012989 0.78 ACHE (0.42) CYP3A4
SCHEMBL14330630 0.78 HTR4 (0.35) CYP3A4HTR4TLR9TLR8TLR7

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-9745305-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-08-29 US claimed
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP claimed
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2016-01-14 US claimed
WO-2020207260-A1 CDK INHIBITOR AND APPLICATION THEREOF 珠海宇繁生物科技有限责任公司 2020-10-15 WO disclosed
US-9745305-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
EP-2970305-B1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-02-22 EP disclosed
US-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2016-01-14 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-20160009718-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 CYP3A4 1065/4885HTR4 4208/4885JAK2 4240/4885

“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.