SCHEMBL2913069

SCHEMBL2913069

CC1(C)CN(Cc2ccccc2)Cc2ccc(Cl)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
MC4R P32245 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
SIGMAR1 Q99720 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PNMT P11086 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
HTR1A P08908 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL13090068 0.83 SIGMAR1 (0.42) GAAMEN1KMT2ATSHRCYP1A2
SCHEMBL13213470 0.79 GAA (0.37) GAAMC4RMEN1KMT2ATSHR
SCHEMBL2912868 0.72 ACHE (0.42) GAAMC4RMEN1KMT2ACYP1A2
SCHEMBL29883093 0.72 ACHE (0.42) GAAMC4RMEN1KMT2ACYP1A2
SCHEMBL29883119 0.71 KMT2A (0.63) GAAMEN1KMT2ASIGMAR1NPC1
SCHEMBL1038680 0.71 KMT2A (0.63) GAAMEN1KMT2ASIGMAR1NPC1
SCHEMBL2109285 0.71 CYP1A2 (0.39) MC4RMEN1KMT2ACYP1A2SIGMAR1
SCHEMBL13329647 0.71 KMT2A (0.40) GAAMC4RMEN1KMT2ATSHR
SCHEMBL2913569 0.70 GAA (0.48) GAAMC4RMEN1KMT2ATSHR
SCHEMBL28693977 0.70 ESR1 (0.40) MC4RMEN1KMT2ACYP1A2SIGMAR1

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 5 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
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 4765/4885MC4R 134/4885MEN1 4418/4885

“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.