SCHEMBL3354748

SCHEMBL3354748

CC(C)Oc1cc2c(cc1Cl)N(C(=O)OC(C)(C)C)CC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.34
ALDH1A1 P00352 1/20 0.31
P2RX3 P56373 3/20 0.31
HTR2C P28335 1/20 0.31
JAK2 O60674 5/20 0.31
JAK1 P23458 5/20 0.31
MTNR1B P49286 2/20 0.31
MGLL Q99685 2/20 0.31
HTR2A P28223 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
SCHEMBL3354586 0.95 MC4R (0.34) MC4RALDH1A1JAK2JAK1MGLL
SCHEMBL2799068 0.92 MC4R (0.37) MC4RALDH1A1JAK2JAK1RORC
SCHEMBL3358660 0.91 MC4R (0.35) MC4RALDH1A1HTR2CJAK2JAK1
SCHEMBL3353490 0.91 MC4R (0.34) MC4RALDH1A1JAK2JAK1MGLL
SCHEMBL3355392 0.90 MC4R (0.36) MC4RALDH1A1JAK2JAK1MTNR1B
SCHEMBL3352280 0.90 MC4R (0.36) MC4RALDH1A1JAK2JAK1RORC
SCHEMBL13334552 0.89 MC4R (0.34) MC4RALDH1A1MGLL
SCHEMBL13308228 0.89 MC4R (0.34) MC4RALDH1A1JAK2JAK1MGLL
SCHEMBL3356511 0.89 MC4R (0.36) MC4RALDH1A1JAK2JAK1RORC
SCHEMBL3358997 0.89 MC4R (0.36) MC4RALDH1A1JAK2JAK1RORC

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-8759383-B2 Inhibitors of cholesterol ester transfer protein CONCERT PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 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 (1 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 MC4R 1326/4885ALDH1A1 903/4885P2RX3 161/4885

“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.