SCHEMBL6711039

SCHEMBL6711039

COc1cc(C2OCCO2)c(OC)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.56
HTR2A P28223 10/20 0.56
HTR2B P41595 4/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP19A1 P11511 3/20 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
SCHEMBL6040717 0.93 HTR2C (0.47) HTR2CHTR2AHTR2BNPC1RAB9A
SCHEMBL29654713 0.87 HTR2C (0.45) HTR2CHTR2APOLBL3MBTL1NPC1
SCHEMBL515378 0.87 HTR2C (0.45) HTR2CHTR2APOLBL3MBTL1NPC1
SCHEMBL24746334 0.85 HTR2C (0.41) HTR2CHTR2AHTR2BTAAR1POLB
SCHEMBL30630193 0.85 HTR2C (0.41) HTR2CHTR2AHTR2BTAAR1POLB
SCHEMBL18840154 0.79 HTR2A (0.38) HTR2CHTR2ANPC1RAB9A
SCHEMBL25648840 0.79 ALDH1A1 (0.37) HTR2CHTR2APOLBRAB9A
SCHEMBL26122002 0.78 HTR2C (0.37) HTR2CHTR2AHTR2BNPC1RAB9A
SCHEMBL2960423 0.78 LMNA (0.40) HTR2CHTR2APOLB
SCHEMBL1670216 0.77 MEN1 (0.47) POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines PFIZER INC. 2004-04-22 US 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-20040077853-A1 2-amino-6-(2,4,5-substituted-phenyl)-pyridines NOS3, NOS1, NOS2 HTR2C 1532/4885HTR2A 816/4885HTR2B 1296/4885

“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.