SCHEMBL16995129

SCHEMBL16995129

NCC(c1cnco1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
P2RX7 Q99572 7/20 0.46
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A2 P23975 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL16995107 0.80 P2RX7 (0.53) P2RX7
SCHEMBL20036432 0.78 P2RX7 (0.43) P2RX7
SCHEMBL17001528 0.78 P2RX7 (0.46) P2RX7
SCHEMBL15797484 0.75 DPP4 (0.49) DPP4P2RX7ALDH1A1KDM4EHSD17B10
SCHEMBL16995100 0.73 P2RX7 (0.58) P2RX7LMNAMAPT
SCHEMBL7120061 0.72 DPP4 (0.53) DPP4P2RX7ALDH1A1KDM4EHSD17B10
SCHEMBL15797470 0.72 P2RX7 (0.52) DPP4P2RX7ALDH1A1KDM4EHSD17B10
SCHEMBL16995098 0.71 ALDH1A1 (0.49) P2RX7ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL2570964 0.71 ALDH1A1 (0.59) DPP4P2RX7ALDH1A1KDM4EHSD17B10
SCHEMBL22639946 0.71 ALDH1A1 (0.59) DPP4P2RX7ALDH1A1KDM4EHSD17B10

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