SCHEMBL12995100

SCHEMBL12995100

CC(C)OC(=O)Nc1ccc(-c2c(N(C)C)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.37
S1PR3 Q99500 2/20 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
DYRK1A Q13627 1/20 0.33
NPY1R P25929 1/20 0.33
NR1I3 Q14994 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
SCHEMBL12995273 0.95 HRH3 (0.36) HRH3S1PR3DYRK1A
SCHEMBL13215068 0.91 HRH3 (0.36) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL12994970 0.90 HRH3 (0.40) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL12995087 0.90 HRH3 (0.39) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL12994969 0.89 HRH3 (0.38) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL12994954 0.89 S1PR3 (0.39) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL12994967 0.89 HRH3 (0.38) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL10097536 0.89 HRH3 (0.38) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL12995077 0.88 S1PR3 (0.40) HRH3S1PR3NPC1CYP1A2CYP2D6
SCHEMBL13051541 0.88 HRH3 (0.38) HRH3S1PR3NPC1CYP1A2CYP2D6

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
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
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885S1PR3 1968/4885NPC1 87/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885S1PR3 1968/4885NPC1 87/4885

“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.