SCHEMBL6411384

SCHEMBL6411384

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
CCR3 P51677 3/20 0.54
SIGMAR1 Q99720 6/20 0.53
DRD2 P14416 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LTA4H P09960 1/20 0.46

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 SCHEMBL6415973 0.99 KMT2A (0.57) KMT2AMEN1CCR3SIGMAR1DRD2
SCHEMBL6409199 0.91 CCR3 (0.51) KMT2AMEN1CCR3SIGMAR1KDM4E
SCHEMBL6408894 0.89 CCR3 (0.50) KMT2AMEN1CCR3SIGMAR1KDM4E
SCHEMBL6409073 0.89 CCR3 (0.50) KMT2AMEN1CCR3SIGMAR1LTA4H
SCHEMBL6409303 0.89 CCR3 (0.61) KMT2AMEN1CCR3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL6412416 0.89 CCR3 (0.50) KMT2AMEN1CCR3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL6410465 0.88 CCR3 (0.49) KMT2AMEN1CCR3SIGMAR1LTA4H
Hydrochloric Acid SCHEMBL6408480 0.88 CCR3 (0.60) KMT2AMEN1CCR3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL6408795 0.88 CCR3 (0.49) KMT2AMEN1CCR3SIGMAR1KDM4E
SCHEMBL6412927 0.86 CCR3 (0.50) KMT2AMEN1CCR3SIGMAR1

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 KMT2A 4587/4885MEN1 4007/4885CCR3 13/4885

“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.