SCHEMBL1779772

SCHEMBL1779772

Cc1cc2ccccc2nc1N1CCN(C(C2CCCNC2)C(C)c2ccccc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.35
NTSR1 P30989 1/20 0.35
KDM4E B2RXH2 5/20 0.35
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
OPRK1 P41145 2/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL1777609 0.88 CYP1A2 (0.45) TSHRALDH1A1MAPTLMNAGLA
SCHEMBL1778330 0.84 KDM4E (0.53) ALDH1A1LMNAKDM4ETDP1IRAK4
SCHEMBL1778793 0.79 KDM4E (0.41) ALDH1A1LMNAKDM4ETDP1HPGD
SCHEMBL1777055 0.79 NPC1 (0.45) ALDH1A1MAPTLMNAKDM4ETDP1
SCHEMBL4811312 0.79 SORD (0.41) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL1779189 0.76 OGA (0.38) TSHRALDH1A1MAPTLMNAKDM4E
SCHEMBL1778488 0.75 LMNA (0.38) ALDH1A1LMNAKDM4ETDP1HPGD
SCHEMBL1779941 0.75 SLC6A2 (0.37) ALDH1A1LMNAKDM4ETDP1HPGD
SCHEMBL6770354 0.71 ADRB1 (0.56) TSHRALDH1A1MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL30222843 0.70 ADRB1 (0.55) TSHRALDH1A1MAPTLMNAKDM4E

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 TSHR 1923/4885ALDH1A1 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.