SCHEMBL12995105

SCHEMBL12995105

CC(C)OC(=O)Nc1ccc(-c2c(-c3nnc(C4CC4)o3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
S1PR3 Q99500 2/20 0.32
NPY1R P25929 1/20 0.32
CYP2D6 P10635 2/20 0.32
HTR4 Q13639 2/20 0.32
KCNH2 Q12809 1/20 0.32
DYRK1A Q13627 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
BRD4 O60885 1/20 0.31
ADCY1 Q08828 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
SCHEMBL12995277 0.96 HRH3 (0.33) HRH3TP53MAPTS1PR3CYP2D6
SCHEMBL12995103 0.92 FAAH (0.39) HRH3S1PR3NPY1RCYP2D6DYRK1A
SCHEMBL10096066 0.89 MAPT (0.36) TP53MAPTCYP2D6HTR4KCNH2
SCHEMBL12995107 0.88 ALDH1A1 (0.38) HRH3MAPTNPY1RSMN1; SMN2
SCHEMBL12995279 0.88 FAAH (0.38) HRH3S1PR3NPY1RDYRK1AP2RX3
SCHEMBL12995425 0.88 EPHX2 (0.40) HRH3NPC1RAB9AFAAHEPHX2
SCHEMBL12995110 0.87 IDO1 (0.35) HRH3S1PR3NPY1RDYRK1ASMN1; SMN2
SCHEMBL12995173 0.87 NPY1R (0.36) HRH3S1PR3NPY1RDYRK1AP2RX3
SCHEMBL12995171 0.86 NPY1R (0.35) HRH3S1PR3NPY1RCYP2D6DYRK1A
SCHEMBL13051541 0.85 HRH3 (0.38) HRH3S1PR3NPY1RCYP2D6DYRK1A

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 6 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

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 3336/4885TP53 1262/4885MAPT 4477/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885TP53 1262/4885MAPT 4477/4885

“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.