SCHEMBL804765

SCHEMBL804765

Cc1nc2ccc3ccccc3c2nc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PRMT5 O14744 1/20 0.42
PRMT3 O60678 1/20 0.42
CARM1 Q86X55 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT1 Q99873 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SLC2A1 P11166 1/20 0.39
MAOA P21397 1/20 0.39
ATM Q13315 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10111723 0.94 MAPT (0.43) MAPTCYP1A2CYP2C9CYP2C19PRMT5
SCHEMBL789338 0.85 MAPT (0.43) MAPTCYP1A2CYP2C9CYP2C19PRMT5
SCHEMBL10111419 0.83 PRMT5 (0.45) MAPTCYP1A2CYP2C19PRMT5PRMT3
SCHEMBL18684821 0.81 MAPT (0.40) MAPTCYP1A2CYP2C9CYP2C19PRMT5
SCHEMBL789344 0.81 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19PRMT5
SCHEMBL20248260 0.78 ATM (0.42) MAPTCYP1A2CYP2C9CYP2C19PRMT5
SCHEMBL15424563 0.78 PRMT5 (0.53) MAPTCYP1A2PRMT5PRMT3CARM1
SCHEMBL805035 0.77 L3MBTL1 (0.51) MAPTCYP1A2ATML3MBTL1TSHR
SCHEMBL805028 0.76 PRMT5 (0.42) MAPTCYP1A2CYP2C19PRMT5PRMT3
SCHEMBL804888 0.74 PRMT5 (0.40) MAPTCYP1A2CYP2C9CYP2C19PRMT5

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-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (2 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-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD MAPT 4121/4885CYP1A2 1039/4885CYP2C9 1031/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD MAPT 4121/4885CYP1A2 1039/4885CYP2C9 1031/4885

“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.