SCHEMBL6410779

SCHEMBL6410779

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(OC)cc1)C2=O)c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CCR5 P51681 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CACNA1G O43497 1/20 0.39
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPK1 P28482 1/20 0.37
ALOX15 P16050 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
GLA P06280 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
Hydrochloric Acid SCHEMBL6410773 0.99 MEN1 (0.41) KMT2AMEN1POLBALDH1A1CCR5
SCHEMBL6408451 0.93 CCR5 (0.42) KMT2AMEN1ALDH1A1CCR5LMNA
SCHEMBL6411851 0.93 MEN1 (0.42) KMT2AMEN1POLBALDH1A1CCR5
Hydrochloric Acid SCHEMBL6408449 0.93 CCR5 (0.41) ALDH1A1CCR5LMNASIGMAR1DRD2
Hydrochloric Acid SCHEMBL6411844 0.92 MEN1 (0.42) KMT2AMEN1POLBALDH1A1CCR5
SCHEMBL6410511 0.91 CXCR3 (0.37) KMT2AMEN1ALDH1A1CCR5L3MBTL1
Hydrochloric Acid SCHEMBL6410507 0.90 CXCR3 (0.36) KMT2AALDH1A1CCR5L3MBTL1LMNA
SCHEMBL6415166 0.90 ALDH1A1 (0.40) KMT2AMEN1POLBALDH1A1CCR5
Hydrochloric Acid SCHEMBL6408497 0.89 CCR5 (0.42) KMT2AMEN1POLBALDH1A1CCR5
SCHEMBL6414737 0.89 CCR5 (0.41) KMT2AMEN1POLBALDH1A1CCR5

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 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 KMT2A 4587/4885MEN1 4007/4885POLB 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.