SCHEMBL2908443

SCHEMBL2908443

CC1CN(Cc2ccccc2)Cc2ccc(OC(C)(C)C)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
DRD4 P21917 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MC4R P32245 1/20 0.35
CYP1A2 P05177 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL29883093 0.81 ACHE (0.42) ACHEDRD4HTR1AADRA2AADRA2B
SCHEMBL2912868 0.81 ACHE (0.42) ACHEDRD4HTR1AADRA2AADRA2B
SCHEMBL28671064 0.78 GPR119 (0.45)
SCHEMBL2907874 0.76 KMT2A (0.54) DRD4HTR1AHTR2CHTR2BSLC6A3
SCHEMBL13569684 0.75 SIGMAR1 (0.44) ACHEDRD4HTR1AHTR2CHTR2B
SCHEMBL28676440 0.74 PRMT5 (0.47) ACHEOPRK1
SCHEMBL29883110 0.74 PRMT5 (0.47) ACHEOPRK1
SCHEMBL31569135 0.74 ACHE (0.42) ACHEHTR1AHTR2CSIGMAR1MC4R
SCHEMBL2889221 0.74 PTGER2 (0.40) DRD4HTR1AADRA2AADRA2BADRA2C
SCHEMBL28675954 0.73 ESR1 (0.39) ACHEDRD4HTR1AADRA2AADRA2B

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 ACHE 2687/4885DRD4 455/4885HTR1A 11/4885

“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.