SCHEMBL4240748

SCHEMBL4240748

Brc1ccc(-c2ccccc2C2(C3CCNCC3)OC=CO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.35
KDM1A O60341 1/20 0.30
EP300 Q09472 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL4238694 0.87 CHRM1 (0.39) HRH1CHRM2CHRM1CHRM3
SCHEMBL4236465 0.84 PTGS2 (0.35) HRH1
SCHEMBL4243013 0.84 OPRD1 (0.42) KDM1ACHRM2
SCHEMBL4240121 0.81 KDM1A (0.38) HRH1KDM1ACHRM3
SCHEMBL4244926 0.73 UBE2M (0.33)
SCHEMBL4244427 0.69 HTR2C (0.38) HRH1KDM1ACHRM2CHRM1CHRM3
SCHEMBL4240759 0.69 HTR2C (0.38) HRH1KDM1ACHRM2
SCHEMBL4240745 0.68 SLC18A3 (0.33) HRH1KDM1A
SCHEMBL4236987 0.65 SLC6A4 (0.33) KDM1AEP300
SCHEMBL18952174 0.62 ALDH1A1 (0.40) KDM1A

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 HRH1 1205/4885KDM1A 4841/4885EP300 1089/4885

“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.