SCHEMBL1495523

SCHEMBL1495523

COC1CCN(C(=O)c2cc(C(=O)NCc3cnc(C)nc3)cc(-c3ccc(C)cc3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.46
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
PRMT5 O14744 1/20 0.41
P2RX3 P56373 4/20 0.40
P2RX2 Q9UBL9 4/20 0.40
VNN1 O95497 3/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C4 P17516 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
HDAC1 Q13547 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KLKB1 P03952 2/20 0.39
KLK1 P06870 2/20 0.39

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
SCHEMBL1495355 0.84 AKR1C3 (0.44) P2RX3P2RX2VNN1AKR1C3AKR1C4
SCHEMBL1495354 0.84 AKR1C3 (0.45) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL1495494 0.84 AKR1C3 (0.45) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL1495403 0.83 AKR1C3 (0.44) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL1495395 0.83 AKR1C3 (0.44) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL12757533 0.82 MEN1 (0.46) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL12757532 0.82 P2RX3 (0.45) P2RX3P2RX2VNN1AKR1C3AKR1C4
SCHEMBL1495360 0.81 AKR1C3 (0.44) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL1495662 0.81 AKR1C3 (0.55) P2RX3P2RX2AKR1C3AKR1C4AKR1C2
SCHEMBL1495362 0.80 P2RX3 (0.45) ROCK2P2RX3P2RX2VNN1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US claimed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-8946439-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-02-03 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 US disclosed
US-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2011-03-17 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-20110065681-A1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF IL1B, ADORA2B, AVPR1B ROCK2 2461/4885LIPC 2493/4885LIPG 3839/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B ROCK2 2461/4885LIPC 2493/4885LIPG 3839/4885

“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.