SCHEMBL3195544

SCHEMBL3195544

COC(=O)C1Cc2cccc(F)c2CN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
DRD2 P14416 4/20 0.41
DRD3 P35462 4/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN3A Q9NY46 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL1202708 0.84 KDM4E (0.50) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL18019174 0.83 KDM4E (0.49) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL28609282 0.83 KDM4E (0.49) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL1202549 0.83 MTNR1A (0.49) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1202547 0.82 MTNR1A (0.48) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL22697206 0.80 GAA (0.39) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL6866846 0.79 KDM4E (0.56) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL29707282 0.79 KDM4E (0.56) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL32677077 0.79 KDM4E (0.56) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL29715383 0.79 KDM4E (0.56) KDM4EHSD17B10CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633752-B1 ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2010-10-06 EP disclosed
US-7683075-B2 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2010-03-23 US disclosed
US-20070142428-A1 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-06-21 US disclosed
EP-1633752-A1 ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-03-15 EP disclosed
WO-2004099206-A1 ISOQUINOLINE-3-CARBOXYLIC ACID AMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-11-18 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-20070142428-A1 Isoquinoline-3-carboxylic acid amides and pharmaceutical uses thereof CHRNA7, CHRNA3, CHRNA1 KDM4E 2996/4885HSD17B10 1442/4885CYP1A2 609/4885

“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.