SCHEMBL6411281

SCHEMBL6411281

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)OC(C)(C)C)c4ccccc4OC)CC3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
SIGMAR1 Q99720 2/20 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
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.37
CCR5 P51681 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL6415166 0.93 ALDH1A1 (0.40) DRD2ALDH1A1LMNAOPRM1OPRL1
SCHEMBL6408469 0.93 DRD2 (0.41) DRD2CTSBCTSSCTSK
SCHEMBL6410561 0.93 ALDH1A1 (0.41) DRD2ALDH1A1LMNAOPRM1OPRL1
Hydrochloric Acid SCHEMBL6410554 0.92 SIGMAR1 (0.42) DRD2ALDH1A1LMNAOPRM1OPRL1
SCHEMBL5249697 0.91 DRD2 (0.40) DRD2CCR5CTSBCTSSCTSK
SCHEMBL6408359 0.90 ALDH1A1 (0.41) DRD2ALDH1A1LMNAOPRM1OPRL1
SCHEMBL6411851 0.89 MEN1 (0.42) DRD2ALDH1A1LMNAOPRM1OPRL1
SCHEMBL6416011 0.89 ROCK2 (0.44) DRD2ALDH1A1LMNAOPRM1OPRL1
Hydrochloric Acid SCHEMBL6411844 0.89 MEN1 (0.42) DRD2ALDH1A1LMNAOPRM1OPRL1
SCHEMBL6410274 0.88 ALDH1A1 (0.38) DRD2ALDH1A1LMNAOPRM1MAPK1

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 DRD2 1775/4885ALDH1A1 869/4885LMNA 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.