SCHEMBL16995071

SCHEMBL16995071

CC(C)(C)OC(=O)NCC(c1nccs1)N1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.61
MAPT P10636 8/20 0.49
THRB P10828 1/20 0.49
DRD2 P14416 1/20 0.46
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL16995056 0.80 ALDH1A1 (0.47) P2RX7MAPTTHRBLMNATP53
SCHEMBL16995094 0.79 P2RX7 (0.58) P2RX7
SCHEMBL16986133 0.76 P2RX7 (1.00) P2RX7
SCHEMBL16995124 0.75 P2RX7 (0.54) P2RX7MAPTTHRBLMNA
SCHEMBL15830397 0.70 PRMT5 (0.71) PRMT5WDR77
SCHEMBL15830395 0.70 DRD2 (0.60) DRD2PRMT5WDR77
SCHEMBL30945677 0.67 DRD2 (0.65) MAPTDRD2TP53PRMT5WDR77
SCHEMBL4766157 0.67 HRH3 (0.45) DRD2
SCHEMBL6502917 0.66 L3MBTL1 (0.44)
SCHEMBL7609410 0.66 L3MBTL1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167281-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2019-01-01 US disclosed
EP-3102573-B1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM SPA (IT) 2018-04-11 EP disclosed
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-10-05 US disclosed
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-10-05 US disclosed
US-9718812-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2017-08-01 US disclosed
US-9718812-B2 Substituted thiazole or oxazole P2X7 receptor antagonists AXXAM S.P.A. (IT) 2017-08-01 US disclosed
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-01-12 US disclosed
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2017-01-12 US disclosed
WO-2015118019-A9 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2016-04-21 WO disclosed
WO-2015118019-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS AXXAM S.P.A. (IT) 2015-08-13 WO disclosed
EP-2905282-A1 Substituted thiazole or oxazole as P2X7 receptor antagonists AXXAM S.p.A. (IT) 2015-08-12 EP 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 (3 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-10167281-B2 Substituted thiazole or oxazole P2X7 receptor antagonists P2RX7, P2RX1, P2RX2 P2RX7 1/4885MAPT 3993/4885THRB 569/4885
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 P2RX7 1/4885MAPT 3993/4885THRB 569/4885
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 P2RX7 1/4885MAPT 4022/4885THRB 584/4885

“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.