SCHEMBL5054635

SCHEMBL5054635

Oc1ccccc1C1COCCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 1/20 0.37
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DRD2 P14416 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DRD3 P35462 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
DRD1 P21728 5/20 0.33
DRD4 P21917 3/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL28683400 0.84 PRKACA (0.41) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL5784099 0.81 PRKACA (0.40) PRKACAPRKACGPRKACBDRD2DRD3
SCHEMBL27899148 0.81 PRKACA (0.34) PRKACAPRKACGPRKACBDRD2
SCHEMBL20319860 0.79 TAAR1 (0.38) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL30463847 0.79 PRKACA (0.45) HTR2BPRKACAPRKACGPRKACB
SCHEMBL23136984 0.79 PRKACA (0.45) HTR2BPRKACAPRKACGPRKACB
SCHEMBL11138422 0.79 HTR2C (0.43) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL24005407 0.79 PRKACA (0.36) HTR2CHTR2BPRKACAPRKACGPRKACB
SCHEMBL29748038 0.79 HTR2C (0.43) HTR2AHTR2CHTR2BPRKACAPRKACG
SCHEMBL2597676 0.79 PRKACA (0.34) HTR2BPRKACAPRKACGPRKACB

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
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080096809-A1 Diastereomeric Peptides Useful as Inhibitors of Membrane Protein Assembly YEDA RESEARCH & DEVELOPMENT CO. LTD. (IL) 2008-04-24 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO 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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 HTR2A 4091/4885HTR2C 4125/4885HTR2B 4270/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 HTR2A 4091/4885HTR2C 4125/4885HTR2B 4270/4885

“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.