SCHEMBL6417656

SCHEMBL6417656

COC(=O)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
UTS2R Q9UKP6 4/20 0.41
HCRTR2 O43614 1/20 0.40
MAPT P10636 2/20 0.39
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
TACR3 P29371 1/20 0.37
CCR5 P51681 1/20 0.36
CCR1 P32246 1/20 0.36
FAAH O00519 2/20 0.36
LMNA P02545 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
Hydrochloric Acid SCHEMBL6417648 0.99 POLB (0.41) POLBUTS2RHCRTR2MAPTNAMPT
SCHEMBL6409403 0.93 MAPT (0.41) POLBUTS2RHCRTR2MAPTNAMPT
Hydrochloric Acid SCHEMBL6409401 0.92 MAPT (0.40) POLBUTS2RHCRTR2MAPTNAMPT
SCHEMBL6409365 0.91 MAPT (0.41) POLBHCRTR2MAPTNAMPTALDH1A1
Hydrochloric Acid SCHEMBL6409364 0.91 MAPT (0.40) POLBHCRTR2MAPTNAMPTALDH1A1
Hydrochloric Acid SCHEMBL6417530 0.91 POLB (0.39) POLBUTS2RHCRTR2MAPTNAMPT
Hydrochloric Acid SCHEMBL6409495 0.90 UTS2R (0.40) POLBUTS2RHCRTR2NAMPTALDH1A1
Hydrochloric Acid SCHEMBL6409994 0.90 HCRTR2 (0.41) POLBUTS2RHCRTR2NAMPTALDH1A1
SCHEMBL6414525 0.89 HCRTR2 (0.41) POLBHCRTR2MAPTNAMPTALDH1A1
SCHEMBL6414716 0.88 ALDH1A1 (0.44) POLBHCRTR2MAPTALDH1A1

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 POLB 3564/4885UTS2R 126/4885HCRTR2 247/4885

“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.