SCHEMBL6409303

SCHEMBL6409303

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SIGMAR1 Q99720 4/20 0.49
DRD2 P14416 1/20 0.49
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A2 P23975 1/20 0.47
MAPK1 P28482 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 SCHEMBL6408480 0.99 CCR3 (0.60) CCR3MEN1KMT2ASIGMAR1DRD2
SCHEMBL6411384 0.89 KMT2A (0.58) CCR3MEN1KMT2ASIGMAR1DRD2
SCHEMBL6409199 0.89 CCR3 (0.51) CCR3MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL6409073 0.88 CCR3 (0.50) CCR3MEN1KMT2ASIGMAR1
SCHEMBL6408894 0.88 CCR3 (0.50) CCR3MEN1KMT2ASIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL6412416 0.88 CCR3 (0.50) CCR3MEN1KMT2ASIGMAR1DRD2
Hydrochloric Acid SCHEMBL6415973 0.88 KMT2A (0.57) CCR3MEN1KMT2ASIGMAR1DRD2
SCHEMBL6412927 0.88 CCR3 (0.50) CCR3MEN1KMT2ASIGMAR1TP53
Hydrochloric Acid SCHEMBL6410465 0.87 CCR3 (0.49) CCR3MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL6408795 0.87 CCR3 (0.49) CCR3MEN1KMT2ASIGMAR1ALDH1A1

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 13/4885MEN1 4007/4885KMT2A 4587/4885

“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.