SCHEMBL16995096

SCHEMBL16995096

NCC(c1cscn1)N1CCCOCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.51
▸ DPP4 P27487 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 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
SCHEMBL16995121 0.94 P2RX7 (0.47) P2RX7DPP4ALDH1A1HPGDHTT
SCHEMBL16995123 0.77 P2RX7 (0.45) P2RX7ALDH1A1HPGDHTT
SCHEMBL18371703 0.75 P2RX7 (0.51) P2RX7
SCHEMBL15797541 0.71 P2RX7 (0.54) P2RX7DPP4
SCHEMBL17001525 0.71 P2RX7 (0.48) P2RX7DPP4SLC6A2SLC6A4
SCHEMBL16995086 0.70 ALDH1A1 (0.48) P2RX7ALDH1A1HPGDHTT
SCHEMBL16461215 0.69 DPP4 (0.56) DPP4ALDH1A1HPGDSLC6A4
SCHEMBL15797371 0.69 DPP4 (0.46) P2RX7DPP4ALDH1A1SLC6A2
SCHEMBL17001577 0.69 P2RX7 (0.51) P2RX7DPP4
SCHEMBL12701048 0.68 P2RX7 (0.50) P2RX7DPP4

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.

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