SCHEMBL2904089

SCHEMBL2904089

CC1CCNCc2ccc(N3CCOCC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SMPD3 Q9NY59 2/20 0.36
HTR2C P28335 8/20 0.35
HTR2A P28223 7/20 0.35
HTR2B P41595 6/20 0.35
PIK3CB P42338 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3C2B O00750 1/20 0.35
MTOR P42345 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 SCHEMBL2910579 0.99 GAA (0.36) GAASMPD3HTR2CHTR2AHTR2B
SCHEMBL16168365 0.87 HTR2C (0.40) HTR2CHTR2AHTR2B
SCHEMBL2904478 0.87 GAA (0.38) GAASMPD3MEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL2904011 0.86 GAA (0.37) GAASMPD3MEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL2910821 0.86 GAA (0.37) GAASMPD3MEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL2905184 0.86 GAA (0.37) GAASMPD3MEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL2905182 0.86 GAA (0.37) GAASMPD3MEN1ALDH1A1CYP1A2
SCHEMBL4009415 0.80 MLNR (0.40) HTR2CHTR2AHTR2B
SCHEMBL4015349 0.80 MLNR (0.40) HTR2CHTR2AHTR2B
SCHEMBL4015013 0.80 MLNR (0.40) HTR2CHTR2AHTR2B

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 6 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
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 3542/4885HTR2C 1/4885

“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.