SCHEMBL12995232

SCHEMBL12995232

CC(OC(=O)Nc1ccc(-c2c(C#CC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.34
S1PR3 Q99500 3/20 0.33
ACACB O00763 1/20 0.32
DYRK1A Q13627 1/20 0.31
RORC P51449 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
SCHEMBL12995040 0.96 HRH3 (0.35) HRH3S1PR3ACACBDYRK1A
SCHEMBL14468079 0.94 HRH3 (0.35) HRH3S1PR3ACACBDYRK1ARORC
SCHEMBL12995233 0.91 HRH3 (0.34) HRH3S1PR3ACACBDYRK1A
SCHEMBL12995115 0.91 HRH3 (0.36) HRH3S1PR3ACACBDYRK1A
SCHEMBL12994593 0.91 HRH3 (0.36) HRH3S1PR3ACACBDYRK1A
SCHEMBL12995229 0.90 S1PR3 (0.34) HRH3S1PR3ACACBDYRK1A
SCHEMBL13198938 0.89 HRH3 (0.36) HRH3S1PR3ACACBDYRK1A
SCHEMBL13214571 0.89 HRH3 (0.36) HRH3S1PR3ACACBDYRK1A
SCHEMBL12995260 0.89 HRH3 (0.38) HRH3S1PR3DYRK1A
SCHEMBL12995225 0.88 HRH3 (0.37) HRH3S1PR3DYRK1A

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 1968/4885ACACB 142/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885S1PR3 1968/4885ACACB 142/4885

“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.