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SCHEMBL12995109

SCHEMBL12995109

CC(C)OC(=O)Nc1ccc(-c2c(-c3ccon3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ S1PR3 Q99500 2/20 0.34
▸ RIPK3 Q9Y572 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABL1 P00519 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32

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
SCHEMBL12995294 0.96 HRH3 (0.34) HRH3NPY1RS1PR3RIPK3NPC1
SCHEMBL12995164 0.89 GCK (0.37) HRH3NPY1RS1PR3RIPK3NPC1
SCHEMBL12995163 0.89 NPY1R (0.36) HRH3NPY1RS1PR3RIPK3NPC1
SCHEMBL12995191 0.89 NPY1R (0.34) HRH3NPY1RS1PR3RIPK3NPC1
SCHEMBL10096074 0.88 RAB9A (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL12995202 0.88 NPY1R (0.36) HRH3NPY1RS1PR3RIPK3NPC1
SCHEMBL12995203 0.88 NPY1R (0.35) HRH3NPY1RS1PR3RIPK3NPC1
SCHEMBL12995106 0.88 P2RX3 (0.37) HRH3NPY1RS1PR3LMNADYRK1A
SCHEMBL12995440 0.88 EPHX2 (0.39) HRH3NPC1RAB9A
SCHEMBL12995208 0.87 RIPK3 (0.39) HRH3NPY1RS1PR3RIPK3NPC1

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 3336/4885NPY1R 4557/4885S1PR3 1968/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885NPY1R 4557/4885S1PR3 1968/4885

“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.