SCHEMBL1779941

SCHEMBL1779941

CC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ccc3cccc(Cl)c3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 8/20 0.37
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
PTGES O14684 2/20 0.34
PDE10A Q9Y233 1/20 0.34
CCNT1 O60563 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 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
SCHEMBL1778330 0.86 KDM4E (0.53) SLC6A4KDM4EALDH1A1LMNAHPGD
SCHEMBL1778488 0.83 LMNA (0.38) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL1778793 0.80 KDM4E (0.41) SLC6A4KDM4EALDH1A1LMNAHPGD
SCHEMBL1777055 0.78 NPC1 (0.45) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4811312 0.76 SORD (0.41) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1777609 0.75 CYP1A2 (0.45) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL1779772 0.75 TSHR (0.35) SLC6A2SLC6A4SLC6A3KDM4EALDH1A1
SCHEMBL1779944 0.70 KCNH2 (0.40) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL1779189 0.70 OGA (0.38) KDM4EALDH1A1LMNASMN1; SMN2HTR3A
SCHEMBL6777260 0.69 HTR3E (0.59) SLC6A4KDM4EALDH1A1TDP1PDE10A

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 SLC6A2 3428/4885SLC6A4 2264/4885SLC6A3 3277/4885

“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.