SCHEMBL6409117

SCHEMBL6409117

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)OC(C)(C)C)c4ccccn4)CC3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
ADAM17 P78536 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 3/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPK1 P28482 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
SCHEMBL6413475 0.92 DRD2 (0.36) SMN1; SMN2DRD2
SCHEMBL6414729 0.90 SMN1; SMN2 (0.41) SMN1; SMN2MMP1MMP9MMP13ADAM17
SCHEMBL6409716 0.90 CCR2 (0.36) MMP1MMP9MMP13ADAM17DRD2
Hydrochloric Acid SCHEMBL6414722 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6408867 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6411257 0.88 SMN1; SMN2 (0.41) SMN1; SMN2MMP1MMP9MMP13ADAM17
SCHEMBL6411281 0.88 DRD2 (0.42) ALDH1A1LMNADRD2OPRM1OPRL1
SCHEMBL6408359 0.87 ALDH1A1 (0.41) MMP1MMP9MMP13ADAM17ALDH1A1
Hydrochloric Acid SCHEMBL6409342 0.87 SMN1; SMN2 (0.41) SMN1; SMN2MMP1MMP9MMP13ADAM17
SCHEMBL6415166 0.87 ALDH1A1 (0.40) SMN1; SMN2MMP1MMP9MMP13ADAM17

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 2 patents. 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
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 SMN1; SMN2 4429/4885MMP1 873/4885MMP9 884/4885

“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.