SCHEMBL1777611

SCHEMBL1777611

Cc1nc2ccccc2nc1N1CCN(CC2CCCN(C(C)c3ccccc3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
HRH4 Q9H3N8 3/20 0.44
SORD Q00796 1/20 0.40
CCR5 P51681 1/20 0.39
PIM1 P11309 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 2/20 0.36
CCR2 P41597 1/20 0.36
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
GHSR Q92847 1/20 0.36
AURKA O14965 1/20 0.36
GRM5 P41594 1/20 0.36
GRM7 Q14831 1/20 0.36
GRM3 Q14832 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 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
SCHEMBL4811316 0.88 SORD (0.41) CYP1A2TSHRHRH4SORDPIM1
SCHEMBL1779775 0.87 HTR1A (0.39) TSHRCCR5LMNASMN1; SMN2KCNH2
SCHEMBL1777057 0.83 NPC1 (0.49) HRH4SORDCCR5PIM1LMNA
SCHEMBL1778333 0.82 KDM4E (0.51) CYP1A2HRH4SORDLMNASMN1; SMN2
SCHEMBL1777607 0.79 HRH4 (0.48) CYP1A2TSHRHRH4KCNH2CCR2
SCHEMBL1778435 0.76 CCR5 (0.46) CCR5LMNASMN1; SMN2KCNH2CCR2
SCHEMBL1778441 0.76 CCR5 (0.46) CCR5LMNASMN1; SMN2KCNH2CCR2
SCHEMBL1778440 0.76 CCR5 (0.46) CCR5LMNASMN1; SMN2KCNH2CCR2
SCHEMBL1778794 0.76 HTR1A (0.44) CCR5PIM1LMNASMN1; SMN2KCNH2
SCHEMBL1778491 0.75 PIM1 (0.41) CCR5PIM1LMNASMN1; SMN2ALDH1A1

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 CYP1A2 741/4885TSHR 1923/4885HRH4 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.