SCHEMBL1779189

SCHEMBL1779189

CC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ncc3cc(Br)ccc3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.38
HTR3A P46098 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
TSHR P16473 2/20 0.35
KIT P10721 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TLR4 O00206 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ACHE P22303 2/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL1778793 0.86 KDM4E (0.41) HTR3AHRH4ALDH1A1KDM4ELMNA
SCHEMBL1777055 0.78 NPC1 (0.45) HTR3AHRH4ALDH1A1KDM4EHCRTR1
SCHEMBL1778330 0.77 KDM4E (0.53) HTR3AHRH4ALDH1A1KDM4ELMNA
SCHEMBL1779772 0.76 TSHR (0.35) TSHRALDH1A1KDM4ELMNAHTT
SCHEMBL1777609 0.75 CYP1A2 (0.45) HRH4TSHRALDH1A1KDM4ELMNA
SCHEMBL1778488 0.72 LMNA (0.38) OGAALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1779190 0.72 OGA (0.40) OGAHTR3AHRH4TLR4TLR9
SCHEMBL4649629 0.71 CYP1A2 (0.36) TSHRKITALDH1A1LMNASMN1; SMN2
SCHEMBL1779941 0.70 SLC6A2 (0.37) HTR3AALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL23199603 0.68 HTR3A (0.51) HTR3AHRH4TSHRALDH1A1TLR4

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-7943768-B2 Piperazine compounds useful as antagonists of C-C chemokines (Ccr2b and CcrS) for the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2008-11-20 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-20080287453-A1 Piperazine Compounds Useful as Antagonists of C-C Chemokines (Ccr2b and Ccr5) for the Treatment of Inflammatory Diseases CCR2, CCR5, CCL2 OGA 4011/4885HTR3A 641/4885HRH4 157/4885

“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.