SCHEMBL4964547

SCHEMBL4964547

Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
SLC8A1 P32418 2/20 0.36
PROKR1 Q8TCW9 2/20 0.35
GBA1 P04062 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RIPK1 Q13546 2/20 0.34
HSD11B1 P28845 1/20 0.33
PLAUR Q03405 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
SCHEMBL4964550 1.00 HTT (0.38) HTTSLC8A1PROKR1GBA1KMT2A
SCHEMBL4962487 0.98 KMT2A (0.37) HTTSLC8A1PROKR1GBA1KMT2A
SCHEMBL4962494 0.98 KMT2A (0.37) HTTSLC8A1PROKR1GBA1KMT2A
SCHEMBL4574531 0.90 SLC8A1 (0.40) SLC8A1PROKR1GBA1
SCHEMBL4964984 0.89 RAB9A (0.39) HTTSLC8A1KMT2AMEN1POLB
SCHEMBL4666535 0.89 RAB9A (0.39) HTTSLC8A1KMT2AMEN1POLB
SCHEMBL4590893 0.89 SLC8A1 (0.33) SLC8A1
SCHEMBL4574802 0.88 RORC (0.38) SLC8A1
SCHEMBL4664623 0.87 RAB9A (0.39) SLC8A1KMT2AMEN1POLBLMNA
SCHEMBL4756646 0.87 SLC8A1 (0.33) SLC8A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US claimed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP claimed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO claimed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO 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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 HTT 3326/4885SLC8A1 4475/4885PROKR1 2259/4885

“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.