SCHEMBL5024760

SCHEMBL5024760

COC1CCN(c2ccc(N3CCNCC3)c(C3CCC(C)(C)CC3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 3/20 0.38
BCL9 O00512 2/20 0.37
CTNNB1 P35222 2/20 0.37
IDH1 O75874 3/20 0.35
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
ADRB1 P08588 4/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
USP30 Q70CQ3 2/20 0.34
LRRK2 Q5S007 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
HTR6 P50406 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
SCHEMBL5024759 1.00 NTSR1 (0.38) NTSR1BCL9CTNNB1IDH1HTR3E
SCHEMBL5015846 0.94 IDH1 (0.37) NTSR1BCL9CTNNB1IDH1HTR3E
SCHEMBL5015848 0.94 IDH1 (0.37) NTSR1BCL9CTNNB1IDH1HTR3E
SCHEMBL4857661 0.89 NTSR1 (0.36) NTSR1IDH1HTR3EHTR3BHTR3A
SCHEMBL4857671 0.89 NTSR1 (0.36) NTSR1IDH1HTR3EHTR3BHTR3A
SCHEMBL4849367 0.83 IDH1 (0.36) NTSR1IDH1HTR3EHTR3BHTR3A
SCHEMBL4849357 0.83 IDH1 (0.36) NTSR1IDH1HTR3EHTR3BHTR3A
SCHEMBL5015795 0.82 DRD2 (0.39) NTSR1HTR1A
SCHEMBL5015794 0.82 DRD2 (0.39) NTSR1HTR1A
SCHEMBL4859603 0.82 PDE7A (0.36) NTSR1BCL9CTNNB1IDH1HTR3E

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-7410971-B2 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-08-12 US disclosed
US-20070112002-A1 1,2-di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-17 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-20070112002-A1 1,2-di(cyclic)substituted benzene compounds CCR10, HRH3, HRH1 NTSR1 2440/4885BCL9 86/4885CTNNB1 372/4885

“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.