SCHEMBL1778330

SCHEMBL1778330

CC(c1ccccc1)C(C1CCCNC1)N1CCN(c2ccc3ccccc3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 7/20 0.52
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
CYP1A2 P05177 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL1778793 0.89 KDM4E (0.41) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL1777055 0.87 NPC1 (0.45) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL1778488 0.87 LMNA (0.38) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL1779941 0.86 SLC6A2 (0.37) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL1779772 0.84 TSHR (0.35) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL4811312 0.83 SORD (0.41) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL1777609 0.82 CYP1A2 (0.45) KDM4EALDH1A1TDP1LMNACYP1A2
SCHEMBL1777669 0.81 KDM4E (0.52) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL1777674 0.81 KDM4E (0.52) KDM4EALDH1A1TDP1LMNAHPGD
SCHEMBL1779189 0.77 OGA (0.38) KDM4EALDH1A1LMNASMN1; SMN2HTR3A

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 KDM4E 4584/4885ALDH1A1 2214/4885TDP1 4880/4885

“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.