SCHEMBL6409264

SCHEMBL6409264

COc1ccccc1C(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
CCR5 P51681 11/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL6415190 0.99 CCR2 (0.42) CCR2CCR5POLBMEN1KMT2A
SCHEMBL6409318 0.91 CCR5 (0.45) CCR5POLBMEN1KMT2ASMN1; SMN2
SCHEMBL6410051 0.90 CCR2 (0.44) CCR2CCR5KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6409642 0.90 POLB (0.40) CCR5POLBMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5252718 0.90 CCR5 (0.45) CCR5POLBMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6408862 0.89 POLB (0.40) CCR5POLBMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6409953 0.89 CCR2 (0.44) CCR2CCR5KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6409386 0.89 PPARG (0.43) CCR2CCR5NPSR1ALDH1A1UTS2R
SCHEMBL6414876 0.89 CCR2 (0.42) CCR2CCR5TACR1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5252193 0.88 PPARG (0.43) CCR2CCR5NPSR1ALDH1A1UTS2R

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 CCR2 5/4885CCR5 4/4885POLB 3564/4885

“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.