SCHEMBL2909535

SCHEMBL2909535

C=C1CCN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.56
SIGMAR1 Q99720 6/20 0.56
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
DRD4 P21917 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
ADRA2C P18825 1/20 0.50
BRS3 P32247 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
OGA O60502 1/20 0.40
PIK3CB P42338 4/20 0.39
PNMT P11086 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PIK3CA P42336 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
SCHEMBL2913307 0.84 TMEM97 (0.60) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL2915724 0.80 KMT2A (0.48) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL2912116 0.79 TMEM97 (0.52) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL2912121 0.79 TMEM97 (0.52) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL2913559 0.72 MEN1 (0.57) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL2110621 0.72 TMEM97 (0.48) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL17984887 0.72 MEN1 (0.56) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL19537615 0.72 SIGMAR1 (1.00) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL19521557 0.72 SIGMAR1 (0.90) TMEM97SIGMAR1ADRA2AADRA2BDRD4
SCHEMBL5774088 0.71 MEN1 (0.55) BRS3MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TMEM97 2223/4885SIGMAR1 2779/4885ADRA2A 576/4885

“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.