SCHEMBL8515937

SCHEMBL8515937

CCN(CC)CCOc1cc(C#N)nc(-c2ccccn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
CYP2D6 P10635 3/20 0.43
HTT P42858 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
LTA4H P09960 1/20 0.43
LYN P07948 1/20 0.43
SRC P12931 1/20 0.43
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
KCNH2 Q12809 2/20 0.41
EBP Q15125 2/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
CHRM1 P11229 2/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL9290571 0.82 CYP2D6 (0.43) ESR1CYP2D6HTTCYP1A2CYP2C9
SCHEMBL8515531 0.80 LYN (0.42) ESR1CYP2D6HTTCYP1A2CYP2C9
Caerulomycinonitrile SCHEMBL8515198 0.79 HSP90AA1 (0.54) MAPTADORA3KDM4ENPSR1LMNA
SCHEMBL8515940 0.77 KDM4E (0.48) ESR1CYP2D6HTTCYP1A2CYP2C9
SCHEMBL7790789 0.74 CYP2D6 (0.67) CYP2D6HTTCYP1A2CYP2C9CYP2C19
SCHEMBL13596182 0.72 CYP1A2 (0.55) CYP2D6HTTCYP1A2CYP2C9CYP2C19
SCHEMBL31754560 0.71 GRM5 (0.51) HTTCYP1A2KMT2AMAPTKDM4E
SCHEMBL21770768 0.70 MCHR1 (0.54) CYP2D6HTTCYP1A2CYP2C9CYP2C19
SCHEMBL2536206 0.69 CCR1 (0.55) CYP2D6HTTCYP1A2CYP2C9CYP2C19
SCHEMBL492266 0.69 MCHR1 (0.60) CYP2D6HTTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP disclosed
EP-2643299-B1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA SA (ES) 2016-06-22 EP disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-9284296-B2 Bipyridine sulfonamide derivatives for the treatment of neurodegenerative diseases or conditions AUBERGINE PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-20140005195-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2014-01-02 US disclosed
EP-2643299-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS Noscira, S.A. (ES) 2013-10-02 EP disclosed
WO-2012069428-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2012-05-31 WO disclosed
WO-2012069428-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS NOSCIRA, S.A. (ES) 2012-05-31 WO 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-20140005195-A1 BIPYRIDINE SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES OR CONDITIONS SNCA, PSEN2, PSEN1 ESR1 1879/4885CYP2D6 1250/4885HTT 17/4885

“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.