SCHEMBL6410274

SCHEMBL6410274

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)OC(C)(C)C)c4ccc(OC)c(OC)c4)CC3)C2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
CCR2 P41597 2/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CCR5 P51681 1/20 0.36
TSHR P16473 2/20 0.35
UTS2R Q9UKP6 2/20 0.35
DRD2 P14416 2/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
NPC1 O15118 1/20 0.35
GFER P55789 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL6409182 0.93 HPGD (0.35) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL6408359 0.93 ALDH1A1 (0.41) ALDH1A1LMNAMAPK1ALOX15CCR5
SCHEMBL6416011 0.91 ROCK2 (0.44) ALDH1A1LMNAMAPK1ALOX15ROCK2
SCHEMBL6414389 0.91 CCR5 (0.37) ALDH1A1CCR2CCR5TSHRUTS2R
SCHEMBL6415595 0.91 MMP1 (0.40) ALDH1A1LMNAMAPK1ALOX15ROCK2
SCHEMBL6408826 0.90 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL6409321 0.90 UTS2R (0.42) ALDH1A1LMNAKMT2AMAPK1CCR5
SCHEMBL6435174 0.90 MEN1 (0.40) ALDH1A1MEN1KMT2AMAPK1POLB
Hydrochloric Acid SCHEMBL6408823 0.89 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL6410157 0.89 CACNA1G (0.42) ALDH1A1LMNAMAPK1ALOX15CCR5

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 ALDH1A1 869/4885LMNA 3107/4885MEN1 4007/4885

“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.