SCHEMBL4238694

SCHEMBL4238694

Clc1ccc(-c2ccccc2C2(C3CCNCC3)OC=CO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM2 P08172 1/20 0.39
HRH1 P35367 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
HTR3A P46098 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IKBKB O14920 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL4240748 0.87 HRH1 (0.35) CHRM1CHRM3CHRM2HRH1
SCHEMBL4243013 0.84 OPRD1 (0.42) CHRM2
SCHEMBL4236465 0.84 PTGS2 (0.35) HRH1
SCHEMBL4240121 0.81 KDM1A (0.38) CHRM3HRH1
SCHEMBL4244427 0.69 HTR2C (0.38) CHRM1CHRM3CHRM2HRH1
SCHEMBL4238688 0.68 DRD2 (0.39) GABRA1GABRG2GABRB3HTR3A
SCHEMBL4733567 0.65 DRD2 (0.42) GABRA1GABRG2GABRB3HTR3A
Hydrochloric Acid SCHEMBL30790524 0.64 CHRM3 (0.53) CHRM1CHRM3CHRM2HRH1IKBKB
SCHEMBL2272330 0.63 HTR3A (0.56) HTR3A
SCHEMBL16300046 0.63 CHRM1 (0.49) CHRM1CHRM3CHRM2HTR3A

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 CHRM1 1750/4885CHRM3 443/4885CHRM2 1783/4885

“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.