SCHEMBL17624329

SCHEMBL17624329

CN1CC2(CCN(CC(F)F)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.34
CYP3A4 P08684 10/20 0.34
USP2 O75604 5/20 0.33
TSHR P16473 5/20 0.33
CYP1A2 P05177 5/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CYP2C9 P11712 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL24940878 0.90 CYP2D6 (0.37) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL17624449 0.89 CYP3A4 (0.39) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL25044367 0.89 HSD17B10 (0.35) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL19504447 0.84 KDM1A (0.31) HSD17B10
SCHEMBL25044369 0.82 HSD17B10 (0.39) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL25001373 0.80 CYP2D6 (0.41) CYP2D6CYP3A4TSHRCYP1A2ALDH1A1
SCHEMBL18517453 0.77 TSHR (0.43) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL24747086 0.76 TSHR (0.46) CYP2D6CYP3A4USP2TSHRCYP1A2
SCHEMBL18390931 0.75 TSHR (0.53) USP2TSHROPRM1
SCHEMBL27283008 0.75 CYP2D6 (0.32) CYP2D6CYP3A4USP2CYP1A2SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-26 US disclosed
WO-2016044604-A1 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 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-20170305922-A1 CARM1 INHIBITORS AND USES THEREOF CARM1, ADRM1, PRMT1 CYP2D6 3645/4885CYP3A4 2855/4885USP2 2210/4885

“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.