SCHEMBL6417685

SCHEMBL6417685

COc1ccc(CN2CCC3(CCN(CCC(C(=O)NC4CCCCC4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.51
CCR5 P51681 5/20 0.46
LMNA P02545 1/20 0.45
YAP1 P46937 2/20 0.44
TEAD4 Q15561 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCHR1 Q99705 1/20 0.42
EPHX2 P34913 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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 SCHEMBL6412862 0.99 CCR8 (0.50) CCR8CCR5LMNAYAP1TEAD4
SCHEMBL6409421 0.99 CCR8 (0.51) CCR8CCR5LMNAYAP1TEAD4
Hydrochloric Acid SCHEMBL6408995 0.98 CCR8 (0.51) CCR8CCR5LMNAYAP1TEAD4
SCHEMBL6412895 0.98 CCR8 (0.51) CCR8CCR5LMNAYAP1TEAD4
Hydrochloric Acid SCHEMBL6414769 0.97 CCR8 (0.51) CCR8CCR5LMNAYAP1TEAD4
SCHEMBL6412966 0.96 CCR8 (0.51) CCR8CCR5SIGMAR1MCHR1
Hydrochloric Acid SCHEMBL6409715 0.95 CCR8 (0.50) CCR8CCR5SIGMAR1MCHR1
SCHEMBL6415803 0.90 CCR8 (0.43) CCR8CCR5SIGMAR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6412679 0.89 CCR8 (0.43) CCR8CCR5SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL6414710 0.89 CCR8 (0.44) CCR8CCR5LMNASIGMAR1SMN1; SMN2

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 CCR8 17/4885CCR5 4/4885LMNA 3107/4885

“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.