SCHEMBL3366604

SCHEMBL3366604

CN1CCN(C(=O)Cn2nccc2-c2ccc(Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPK1 P28482 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
PTGS2 P35354 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 2/20 0.41
EGFR P00533 2/20 0.40
TYMS P04818 2/20 0.40
LTA4H P09960 2/20 0.40
VDR P11473 2/20 0.40
SRC P12931 2/20 0.40
CTSK P43235 2/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
FKBP1A P62942 1/20 0.39

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
SCHEMBL3368671 0.90 TSHR (0.46) RAB9ANPC1SMN1; SMN2TSHRFKBP1A
SCHEMBL3367040 0.88 FKBP1A (0.53) RAB9ANPC1SMN1; SMN2HTTPTGS2
SCHEMBL1385459 0.81 BACE1 (0.46) SCN9A
SCHEMBL1386652 0.79 BACE1 (0.48) LTA4HSCN9A
SCHEMBL6497228 0.77 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2PTGS2MAPT
SCHEMBL1386524 0.75 SCN4A (0.42) LTA4HALDH1A1SCN9A
SCHEMBL1384448 0.75 SCN4A (0.44) LTA4HSCN9A
SCHEMBL3365074 0.73 SCN4A (0.43) LTA4HSCN9A
SCHEMBL1386745 0.72 SCN4A (0.40) POLBSCN9A
SCHEMBL5571293 0.71 SCN4A (0.41) RAB9ANPC1LTA4HTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP claimed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP claimed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US claimed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US claimed
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 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 (1 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-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 POLB 2491/4885L3MBTL1 185/4885RAB9A 3883/4885

“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.