SCHEMBL4245341

SCHEMBL4245341

COc1ccc(-c2ccccc2C2(C3CCNCC3)OC=CO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.42
ABL1 P00519 1/20 0.38
ABCB1 P08183 1/20 0.38
BCR P11274 1/20 0.38
EP300 Q09472 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PLAT P00750 1/20 0.35
HRH1 P35367 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL4240422 0.84 CHRM2 (0.44) HTR1AHTR7ABL1EP300MEN1
SCHEMBL4240748 0.84 HRH1 (0.35) EP300HRH1KDM1A
SCHEMBL4243013 0.81 OPRD1 (0.42) HTR1AHTR7OPRD1KCNH2PLAT
SCHEMBL4244329 0.76 KMT2A (0.36) HTR1AHTR7KCNH2ABL1ABCB1
SCHEMBL4242945 0.74 TNF (0.39) MEN1KMT2ALMNA
SCHEMBL4245338 0.70 OPRD1 (0.43) OPRD1KCNH2MEN1KMT2ATDP1
SCHEMBL11610662 0.68 TDP1 (0.51) HTR1AHTR7OPRD1KCNH2ABL1
SCHEMBL4244427 0.66 HTR2C (0.38) HTR1AHTR7OPRD1KCNH2PLAT
SCHEMBL14813755 0.66 HTR7 (0.48) HTR1AHTR7OPRD1KCNH2ABL1
SCHEMBL12715050 0.65 ABL1 (0.79) HTR1AHTR7ABL1ABCB1BCR

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
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 HTR1A 2939/4885HTR7 2146/4885OPRD1 245/4885

“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.