SCHEMBL12634697

SCHEMBL12634697

OCCOc1ccc(F)cc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
KDM4E B2RXH2 1/20 0.45
MAPT P10636 6/20 0.45
F2 P00734 1/20 0.44
PLAU P00749 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL30002481 1.00 PKM (0.60) PKMKDM4EMAPTF2PLAU
SCHEMBL30338496 0.86 PKM (0.61) PKMKDM4EMAPTF2PLAU
SCHEMBL23677862 0.86 PKM (0.61) PKMKDM4EMAPTF2PLAU
SCHEMBL21794169 0.86 PKM (0.61) PKMKDM4EMAPTF2PLAU
SCHEMBL3102904 0.85 FFAR1 (0.49) PKMALOX5APFEN1IDO1
SCHEMBL2226476 0.82 HTR2C (0.44) PKMKDM4EMAPTL3MBTL1TDP1
SCHEMBL18053754 0.81 PKM (0.56) PKMKDM4EMAPTF2PLAU
SCHEMBL263112 0.81 PKM (0.56) PKMKDM4EMAPTF2PLAU
SCHEMBL30143416 0.81 PKM (0.56) PKMKDM4EMAPTF2PLAU
SCHEMBL7119985 0.81 PKM (0.56) PKMKDM4EMAPTF2PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 US disclosed
WO-2011053821-A1 MACROCYCLIC GHRELIN RECEPTOR ANTAGONISTS AND INVERSE AGONISTS AND METHODS OF USING THE SAME TRANZYME PHARMA, INC. (US) 2011-05-05 WO disclosed
US-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same OCERA THERAPEUTICS, INC. 2011-05-05 US disclosed
US-RE42013-E1 Macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. (CA) 2010-12-28 US disclosed
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-08-06 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 (2 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-20110105389-A1 Macrocyclic Ghrelin Receptor Antagonists and Inverse Agonists and Methods of Using the Same GHSR, GHRHR, GIPR PKM 4365/4885KDM4E 3870/4885MAPT 4659/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR PKM 3429/4885KDM4E 2815/4885MAPT 4693/4885

“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.