SCHEMBL1778488

SCHEMBL1778488

CC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ccc3cccnc3n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
OGA O60502 3/20 0.35
PDE10A Q9Y233 2/20 0.34
KCNH2 Q12809 2/20 0.33
RPLP1 P05386 1/20 0.33
RPLP0 P05388 1/20 0.33
RPS17 P08708 1/20 0.33
RPSA P08865 1/20 0.33
RPS2 P15880 1/20 0.33
RPL35A P18077 1/20 0.33
RPL7 P18124 1/20 0.33
RPL17 P18621 1/20 0.33
RPS4Y1 P22090 1/20 0.33
RPS3 P23396 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
SCHEMBL4811312 0.91 SORD (0.41) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1778330 0.87 KDM4E (0.53) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1779941 0.83 SLC6A2 (0.37) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1777055 0.80 NPC1 (0.45) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1778793 0.80 KDM4E (0.41) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1777609 0.76 CYP1A2 (0.45) LMNAKDM4EALDH1A1TDP1SORD
SCHEMBL1779772 0.75 TSHR (0.35) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1779189 0.72 OGA (0.38) LMNAKDM4EALDH1A1SMN1; SMN2OGA
SCHEMBL1778491 0.70 PIM1 (0.41) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL10509900 0.68 HTR2C (0.54) KDM4EALDH1A1TDP1HRH3SLC6A4

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 LMNA 4191/4885KDM4E 4584/4885ALDH1A1 2214/4885

“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.