SCHEMBL5575359

SCHEMBL5575359

O=C1N(C2CCSCC2)CC(c2cccc(Cl)c2)N1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.43
CCR4 P51679 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL4609996 0.91 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4610004 0.91 CCR5 (0.50) CCR5CCR4KCNH2
SCHEMBL4652438 0.88 CCR5 (0.52) CCR5CCR4KCNH2HTR6
SCHEMBL4652432 0.88 CCR5 (0.52) CCR5CCR4KCNH2HTR6
SCHEMBL5575401 0.87 CCR5 (0.44) CCR5CCR4KCNH2DRD2HTR6
SCHEMBL5572538 0.85 CCR5 (0.41) CCR5CCR4KCNH2ALDH1A1MAPT
SCHEMBL14571188 0.81 ALDH1A1 (0.40) CCR5ALDH1A1MAPTHPGDTSHR
SCHEMBL4608051 0.80 CCR5 (0.46) CCR5CCR4KCNH2MAPT
SCHEMBL4598546 0.80 ALDH1A1 (0.41) CCR5ALDH1A1MAPTHPGDTSHR
SCHEMBL4597271 0.79 DRD2 (0.45) CCR5KCNH2DRD2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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 (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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 CCR5 1/4885CCR4 2/4885KCNH2 4762/4885

“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.