SCHEMBL21434011

SCHEMBL21434011

CC(=O)NC1CCN(c2ccnc(-c3ccc(C(F)(F)F)cc3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.51
▸ SYK P43405 2/20 0.49
▸ SMPD3 Q9NY59 1/20 0.49
▸ PHGDH O43175 1/20 0.46
▸ CHRNB2 P17787 2/20 0.45
▸ CHRNB4 P30926 2/20 0.45
▸ CHRNA3 P32297 2/20 0.45
▸ CHRNA4 P43681 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ ITGB2 P05107 3/20 0.43
▸ ICAM1 P05362 3/20 0.43
▸ ITGAL P20701 3/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ PDE2A O00408 1/20 0.42
▸ FPR1 P21462 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ MCHR1 Q99705 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
SCHEMBL21433938 0.93 SYK (0.45) CNR1SYKSMPD3PHGDHCHRNB2
SCHEMBL21434103 0.87 CYP11B2 (0.46) SYKSMPD3PHGDHITGB2ICAM1
SCHEMBL21434058 0.87 SMPD3 (0.51) SYKSMPD3ITGB2ICAM1ITGAL
SCHEMBL21452911 0.86 ITGB2 (0.45) CNR1SYKSMPD3PHGDHTRPV1
SCHEMBL21434084 0.86 ITGB2 (0.45) CNR1SYKSMPD3PHGDHTRPV1
SCHEMBL21433977 0.85 HRH4 (0.43) SYKITGB2ICAM1ITGALHRH4
SCHEMBL21434175 0.82 CCNC (0.45) SYKHRH4HDAC1MCHR1
SCHEMBL21452939 0.82 KMO (0.43) SYKSMPD3HRH4
SCHEMBL21434053 0.81 SMPD3 (0.43) CNR1SYKSMPD3HRH4
SCHEMBL21433956 0.81 CNR1 (0.44) CNR1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US claimed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP claimed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO claimed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — US claimed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — US disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — US 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CNR1 158/4885SYK 923/4885SMPD3 4779/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CNR1 158/4885SYK 923/4885SMPD3 4779/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CNR1 195/4885SYK 860/4885SMPD3 4753/4885

“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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