SCHEMBL1779775

SCHEMBL1779775

Cc1cc2ccccc2nc1N1CCN(CC2CCCN(C(C)c3ccccc3)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
KCNH2 Q12809 3/20 0.37
GHSR Q92847 2/20 0.37
CYP3A4 P08684 1/20 0.37
CCR2 P41597 1/20 0.37
CCR5 P51681 1/20 0.37
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
AURKA O14965 1/20 0.37
HTT P42858 2/20 0.36
CYP2D6 P10635 2/20 0.36
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 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
SCHEMBL1777611 0.87 CYP1A2 (0.46) ALDH1A1MAPTDUSP3PTPN5PTPN11
SCHEMBL1778333 0.83 KDM4E (0.51) HTR1AALDH1A1KDM4ETDP1HPGD
SCHEMBL1779769 0.80 CCR2 (0.47) HTR1AALDH1A1KCNH2CCR2AURKA
SCHEMBL1778794 0.79 HTR1A (0.44) HTR1AALDH1A1KCNH2GHSRCYP3A4
SCHEMBL1777057 0.79 NPC1 (0.49) ALDH1A1MAPTCCR5HTTKDM4E
SCHEMBL4811316 0.78 SORD (0.41) HTR1AALDH1A1KDM4ETDP1HPGD
SCHEMBL1778435 0.76 CCR5 (0.46) ALDH1A1MAPTDUSP3PTPN5PTPN11
SCHEMBL1778441 0.76 CCR5 (0.46) ALDH1A1MAPTDUSP3PTPN5PTPN11
SCHEMBL1778440 0.76 CCR5 (0.46) ALDH1A1MAPTDUSP3PTPN5PTPN11
SCHEMBL1779190 0.76 OGA (0.40) HTR1AKCNH2GHSRCCR2CCR5

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 HTR1A 934/4885ALDH1A1 2214/4885MAPT 4777/4885

“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.