SCHEMBL12995277

SCHEMBL12995277

CC(OC(=O)Nc1ccc(-c2c(-c3nnc(C4CC4)o3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.33
S1PR3 Q99500 2/20 0.32
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR4 Q13639 1/20 0.31
RORC P51449 1/20 0.31
DYRK1A Q13627 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 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 0.30
RAF1 P04049 1/20 0.30
BRAF P15056 1/20 0.30
FAAH O00519 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL12995105 0.96 HRH3 (0.33) HRH3S1PR3CYP2D6KCNH2HTR4
SCHEMBL12995279 0.92 FAAH (0.38) HRH3S1PR3RORCDYRK1AP2RX3
SCHEMBL10096108 0.89 MAPT (0.35) CYP2D6KCNH2HTR4TP53MAPT
SCHEMBL12995280 0.89 ALDH1A1 (0.38) HRH3S1PR3MAPT
SCHEMBL12995103 0.88 FAAH (0.39) HRH3S1PR3CYP2D6DYRK1AP2RX3
SCHEMBL12995287 0.87 IDO1 (0.34) HRH3S1PR3HTR4RORCDYRK1A
SCHEMBL12995311 0.87 DYRK1A (0.34) HRH3S1PR3RORCDYRK1AP2RX3
SCHEMBL12995313 0.86 HRH3 (0.33) HRH3S1PR3RORCDYRK1AP2RX3
SCHEMBL12995425 0.86 EPHX2 (0.40) HRH3FAAHEPHX2
SCHEMBL13053606 0.86 HRH3 (0.36) HRH3S1PR3RORCDYRK1A

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 3336/4885S1PR3 1968/4885CYP2D6 4186/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885S1PR3 1968/4885CYP2D6 4186/4885

“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.