SCHEMBL3638488

SCHEMBL3638488

CC(C)C(=O)N1CCN(c2nc(NCc3ccccc3)c3ccccc3n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.69
PDE5A O76074 3/20 0.69
HTR2A P28223 1/20 0.64
DRD3 P35462 1/20 0.64
KDM4E B2RXH2 4/20 0.63
MAPT P10636 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
MAPK1 P28482 1/20 0.63
CTNNB1 P35222 6/20 0.58
TCF7L2 Q9NQB0 6/20 0.58
HTR3A P46098 1/20 0.53
ALOX15 P16050 1/20 0.52
APP P05067 2/20 0.50
ACHE P22303 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PTGS1 P23219 1/20 0.49
TBXAS1 P24557 1/20 0.49

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
SCHEMBL3638870 0.93 HRH4 (0.60) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL3641800 0.88 HRH4 (0.72) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL3640608 0.85 HRH4 (0.69) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL3640288 0.85 PDE5A (0.68) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL3644233 0.84 PDE5A (0.67) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL13009783 0.82 ACHE (0.66) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL3640234 0.82 HRH4 (1.00) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL27808528 0.81 CTNNB1 (0.68) HRH4PDE5AHTR2ADRD3KDM4E
Hydrochloric Acid SCHEMBL3637430 0.81 HRH4 (0.97) HRH4PDE5AHTR2ADRD3KDM4E
SCHEMBL2628837 0.81 PDE5A (0.79) HRH4PDE5AHTR2ADRD3KDM4E

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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US claimed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP claimed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 WO claimed
US-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-16 US disclosed
EP-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 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-20100317607-A1 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS TPX2, DCXR, RRM2 HRH4 360/4885PDE5A 2048/4885HTR2A 4438/4885

“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.