SCHEMBL6412927

SCHEMBL6412927

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.50
HCRTR2 O43614 1/20 0.50
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HDAC11 Q96DB2 1/20 0.46
SIGMAR1 Q99720 3/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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 SCHEMBL6409027 0.99 HCRTR2 (0.49) CCR3HCRTR2POLBGAAHDAC11
SCHEMBL6409303 0.88 CCR3 (0.61) CCR3SIGMAR1TP53CYP3A4MAPT
Hydrochloric Acid SCHEMBL6408480 0.87 CCR3 (0.60) CCR3SIGMAR1MAPK1SMN1; SMN2MEN1
SCHEMBL6411384 0.86 KMT2A (0.58) CCR3SIGMAR1MEN1KMT2A
SCHEMBL6409199 0.86 CCR3 (0.51) CCR3SIGMAR1MEN1KMT2A
SCHEMBL6409085 0.86 CCR3 (0.50) CCR3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6411221 0.85 CCR3 (0.49) CCR3SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6412416 0.85 CCR3 (0.50) CCR3SIGMAR1MEN1KMT2A
SCHEMBL6409073 0.85 CCR3 (0.50) CCR3SIGMAR1MEN1KMT2A
SCHEMBL6408894 0.85 CCR3 (0.50) CCR3POLBSIGMAR1MEN1KMT2A

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 13/4885HCRTR2 247/4885POLB 3564/4885

“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.