SCHEMBL1777609

SCHEMBL1777609

Cc1nc2ccccc2nc1N1CCN(C(C2CCCNC2)C(C)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TSHR P16473 3/20 0.45
HRH4 Q9H3N8 2/20 0.44
SORD Q00796 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.37
RXFP1 Q9HBX9 1/20 0.35
ACACB O00763 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
NTSR1 P30989 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PDE6D O43924 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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 0.88 SORD (0.41) CYP1A2TSHRHRH4SORDIRAK4
SCHEMBL1779772 0.88 TSHR (0.35) TSHRIRAK4ALDH1A1MAPTLMNA
SCHEMBL1777055 0.83 NPC1 (0.45) HRH4SORDACACBALDH1A1MAPT
SCHEMBL1778330 0.82 KDM4E (0.53) CYP1A2HRH4SORDIRAK4ALDH1A1
SCHEMBL1778793 0.76 KDM4E (0.41) CYP1A2HRH4RXFP1ALDH1A1LMNA
SCHEMBL1778488 0.76 LMNA (0.38) SORDALDH1A1LMNASLC6A2SLC6A4
SCHEMBL1779941 0.75 SLC6A2 (0.37) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL1779189 0.75 OGA (0.38) TSHRHRH4RXFP1ALDH1A1MAPT
SCHEMBL4472647 0.68 CYP1A2 (0.72) CYP1A2TSHRHRH4SORDALDH1A1
SCHEMBL31652347 0.68 CYP1A2 (0.72) CYP1A2TSHRHRH4SORDALDH1A1

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.