SCHEMBL6409085

SCHEMBL6409085

O=C1N(Cc2ccc(OC(F)(F)F)cc2)CCC12CCN(CCCc1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.50
LIPE Q05469 1/20 0.47
ACHE P22303 3/20 0.45
BCHE P06276 2/20 0.45
BACE1 P56817 2/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
SIGMAR1 Q99720 3/20 0.44
ALDH1A1 P00352 1/20 0.43
P2RY1 P47900 1/20 0.42
GRM2 Q14416 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL6411221 0.99 CCR3 (0.49) CCR3LIPEACHEBCHEBACE1
SCHEMBL6412927 0.86 CCR3 (0.50) CCR3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6409027 0.85 HCRTR2 (0.49) CCR3SIGMAR1MEN1KMT2A
SCHEMBL6409303 0.85 CCR3 (0.61) CCR3DRD2SIGMAR1ALDH1A1MEN1
SCHEMBL6409806 0.85 CCR5 (0.52) CCR3LIPEACHEBCHEBACE1
Hydrochloric Acid SCHEMBL6408480 0.84 CCR3 (0.60) CCR3DRD2SIGMAR1ALDH1A1MEN1
SCHEMBL6411384 0.84 KMT2A (0.58) CCR3DRD2SIGMAR1ALDH1A1MEN1
SCHEMBL6409199 0.84 CCR3 (0.51) CCR3SIGMAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL6412416 0.83 CCR3 (0.50) CCR3DRD2SIGMAR1MEN1KMT2A
SCHEMBL6409073 0.83 CCR3 (0.50) CCR3SIGMAR1MEN1KMT2A

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 CCR3 13/4885LIPE 1606/4885ACHE 3824/4885

“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.