SCHEMBL2912121

SCHEMBL2912121

CC=C1CN(Cc2ccccc2)Cc2ccc(N3CCOCC3)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 1/20 0.52
DRD4 P21917 1/20 0.47
HRH1 P35367 1/20 0.47
HTR2B P41595 1/20 0.47
PIK3CB P42338 8/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
OGA O60502 1/20 0.39
PIK3CA P42336 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL2912116 1.00 TMEM97 (0.52) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL2909535 0.79 TMEM97 (0.56) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL2913307 0.76 TMEM97 (0.60) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL2110621 0.73 TMEM97 (0.48) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL19521468 0.69 SIGMAR1 (1.00) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL3001538 0.67 PIK3CB (0.38) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL3001540 0.67 PIK3CB (0.38) TMEM97SIGMAR1ADRA2AADRA2BADRA2C
SCHEMBL1123752 0.65 CASP1 (0.78) DRD4TSHRHTTGAA
SCHEMBL5774088 0.65 MEN1 (0.55) MAPT
SCHEMBL21326689 0.65 PIK3CA (0.40) PIK3CBPIK3CAKDM4EGAA

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.