SCHEMBL2904478

SCHEMBL2904478

CC1CNCc2ccc(N3CCOCC3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
SMPD3 Q9NY59 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KMT2A Q03164 2/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL2910821 0.99 GAA (0.37) GAASMPD3GPR119PDE3BPDE3A
Hydrochloric Acid SCHEMBL2904011 0.99 GAA (0.37) GAASMPD3GPR119PDE3BPDE3A
Hydrochloric Acid SCHEMBL2905182 0.99 GAA (0.37) GAASMPD3GPR119PDE3BPDE3A
Hydrochloric Acid SCHEMBL2905184 0.99 GAA (0.37) GAASMPD3GPR119PDE3BPDE3A
SCHEMBL4009415 0.87 MLNR (0.40) CYP2D6
SCHEMBL4015013 0.87 MLNR (0.40) CYP2D6
SCHEMBL4015349 0.87 MLNR (0.40) CYP2D6
SCHEMBL2904089 0.87 GAA (0.36) GAASMPD3KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL2910579 0.86 GAA (0.36) GAASMPD3KMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL4206680 0.86 MLNR (0.39) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 EP claimed
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 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 (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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C GAA 4765/4885SMPD3 3542/4885GPR119 90/4885

“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.