SCHEMBL16995123

SCHEMBL16995123

N#CC(c1cscn1)N1CCCOCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.45
▸ ALDH1A1 P00352 8/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ACHE P22303 6/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KCNA5 P22460 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 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
SCHEMBL16995086 0.94 ALDH1A1 (0.48) P2RX7ALDH1A1SMN1; SMN2ACHEL3MBTL1
SCHEMBL16995096 0.77 P2RX7 (0.51) P2RX7ALDH1A1HPGDHTT
SCHEMBL16995095 0.74 P2RX7 (0.44) P2RX7
SCHEMBL18274461 0.72 ALDH1A1 (0.51) P2RX7ALDH1A1SMN1; SMN2ACHEL3MBTL1
SCHEMBL18371691 0.72 ALDH1A1 (0.42) P2RX7ALDH1A1SMN1; SMN2ACHEL3MBTL1
SCHEMBL10749589 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL16995121 0.70 P2RX7 (0.47) P2RX7ALDH1A1SMN1; SMN2L3MBTL1HPGD
SCHEMBL18274471 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL17001569 0.69 P2RX7 (0.44) P2RX7ALDH1A1SMN1; SMN2ACHEL3MBTL1
SCHEMBL19940615 0.69 ALDH1A1 (0.43) P2RX7ALDH1A1SMN1; SMN2ACHEL3MBTL1

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-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
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 1/4885ALDH1A1 1516/4885SMN1; SMN2 3527/4885
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 P2RX7 1/4885ALDH1A1 1516/4885SMN1; SMN2 3527/4885
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 P2RX7 1/4885ALDH1A1 1523/4885SMN1; SMN2 3564/4885

“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.

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