SCHEMBL6410165

SCHEMBL6410165

CCOC(=O)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.39
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
OPRD1 P41143 2/20 0.36
OPRM1 P35372 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CCR5 P51681 1/20 0.35
GAA P10253 1/20 0.35
HCRTR1 O43613 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCD O00767 1/20 0.35

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 SCHEMBL5249454 0.99 HCRTR2 (0.41) HCRTR2MAPTPKMPOLBSMN1; SMN2
SCHEMBL6414525 0.93 HCRTR2 (0.41) HCRTR2MAPTPKMPOLBOPRM1
Hydrochloric Acid SCHEMBL6414520 0.92 HCRTR2 (0.41) HCRTR2MAPTPKMPOLBOPRM1
SCHEMBL6409883 0.90 HCRTR2 (0.39) HCRTR2MAPTPOLBALDH1A1GAA
SCHEMBL6409403 0.89 MAPT (0.41) HCRTR2MAPTPKMPOLBOPRD1
Hydrochloric Acid SCHEMBL6410061 0.89 HCRTR2 (0.42) HCRTR2MAPTPOLBOPRD1OPRM1
Hydrochloric Acid SCHEMBL6409401 0.89 MAPT (0.40) HCRTR2MAPTPKMPOLBOPRD1
Hydrochloric Acid SCHEMBL6409408 0.88 HCRTR2 (0.41) HCRTR2MAPTPOLBALDH1A1CCR5
SCHEMBL6410511 0.87 CXCR3 (0.37) OPRM1ALDH1A1TSHRKMT2AMEN1
SCHEMBL6412131 0.87 MAPT (0.44) HCRTR2MAPTPKMPOLBSMN1; 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 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 HCRTR2 247/4885MAPT 4525/4885PKM 2380/4885

“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.