SCHEMBL8512982

SCHEMBL8512982

COC(=O)c1ccc2cc(N(C=O)OCCN(NCc3cccc(F)c3Cl)C(C)=O)ncc2c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
P2RX4 Q99571 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 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
SCHEMBL8509850 0.97 P2RX4 (0.30) CYSLTR1P2RX4NR1H2NR1H3
SCHEMBL14718185 0.87 ADORA2A (0.32) P2RX4NR1H2NR1H3
SCHEMBL210445 0.82 ABL1 (0.35) MTNR1AMTNR1B
SCHEMBL211841 0.78 TRPM8 (0.32) P2RX4NR1H2NR1H3
SCHEMBL213278 0.77 CRHR1 (0.32) NR1H2NR1H3
SCHEMBL210413 0.73 P2RX4 (0.33) P2RX4
SCHEMBL213402 0.72 P2RX4 (0.35) P2RX4
SCHEMBL212126 0.72 P2RX4 (0.32) P2RX4
SCHEMBL212808 0.72 P2RX4 (0.33) P2RX4
SCHEMBL211522 0.72 P2RX4 (0.33) P2RX4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CYSLTR1 1542/4885MTNR1A 93/4885MTNR1B 83/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CYSLTR1 1542/4885MTNR1A 93/4885MTNR1B 83/4885

“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.