SCHEMBL16995121

SCHEMBL16995121

NCC(c1cscn1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 8/20 0.47
▸ DPP4 P27487 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL16995096 0.94 P2RX7 (0.51) P2RX7DPP4ALDH1A1HPGDHTT
SCHEMBL18371703 0.79 P2RX7 (0.51) P2RX7
SCHEMBL16995086 0.74 ALDH1A1 (0.48) P2RX7ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL16461215 0.73 DPP4 (0.56) DPP4ALDH1A1HPGDSLC6A4SMN1; SMN2
SCHEMBL15797371 0.73 DPP4 (0.46) P2RX7DPP4ALDH1A1SLC6A2SMN1; SMN2
SCHEMBL16995087 0.72 P2RX7 (0.54) P2RX7ALDH1A1HPGDL3MBTL1
SCHEMBL19940211 0.71 DPP4 (0.42) P2RX7DPP4
SCHEMBL15476886 0.71 DPP4 (0.50) DPP4SLC6A2SLC6A4
SCHEMBL16995066 0.71 P2RX7 (0.56) P2RX7DPP4
SCHEMBL15797454 0.71 DPP4 (0.47) P2RX7DPP4SLC6A2

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 9 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
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 1/4885DPP4 670/4885ALDH1A1 1516/4885
US-20170283409-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 P2RX7 1/4885DPP4 670/4885ALDH1A1 1516/4885
US-20170008883-A1 SUBSTITUTED THIAZOLE OR OXAZOLE P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX2 P2RX7 1/4885DPP4 649/4885ALDH1A1 1523/4885

“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.

Send feedback