SCHEMBL12995489

SCHEMBL12995489

CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3cc(OC4CCOCC4)ccc3n2C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.37
TBK1 Q9UHD2 3/20 0.35
JAK2 O60674 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PFKFB2 O60825 4/20 0.35
PFKFB1 P16118 4/20 0.35
PFKFB3 Q16875 4/20 0.35
NSD2 O96028 2/20 0.34
AS3MT Q9HBK9 2/20 0.34
DOT1L Q8TEK3 1/20 0.34
ACSL1 P33121 1/20 0.34
DYRK1A Q13627 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL12995505 0.95 HRH3 (0.36) HRH3TBK1JAK2PFKFB2PFKFB1
SCHEMBL2886552 0.94 HRH3 (0.37) HRH3TBK1JAK2NPC1CYP1A2
SCHEMBL12995897 0.92 NPC1 (0.34) HRH3NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL13198217 0.91 HRH3 (0.36) HRH3TBK1JAK2NPC1CYP1A2
SCHEMBL12995501 0.90 HRH3 (0.33) HRH3TBK1JAK2PFKFB2PFKFB1
SCHEMBL10096713 0.89 S1PR3 (0.36) HRH3NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL12995115 0.89 HRH3 (0.36) HRH3TBK1JAK2DYRK1AACACB
SCHEMBL12994593 0.89 HRH3 (0.36) HRH3TBK1JAK2DYRK1AACACB
SCHEMBL12995602 0.89 S1PR3 (0.36) HRH3NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL13198938 0.89 HRH3 (0.36) HRH3TBK1JAK2DYRK1AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885TBK1 1215/4885JAK2 275/4885

“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.