SCHEMBL4677595

SCHEMBL4677595

[c]1occc1N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
HTR2C P28335 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL6985666 0.85
SCHEMBL3302046 0.81 CHKA (0.32)
SCHEMBL4510267 0.78 LMNA (0.42)
SCHEMBL16816618 0.72 SLC6A2 (0.36)
SCHEMBL303465 0.65 PLD1 (0.44) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4515850 0.65 ADRB1 (0.44) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1606819 0.64 ADRB1 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL188699 0.64 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5570604 0.63 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL17595113 0.62 PLD1 (0.53) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458380-B1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-7282594-B2 Synthetic methodology for the reductive alkylation at the C-3 position of indoles WYETH (US) 2007-10-16 US claimed
EP-1458380-A1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP claimed
WO-2003051359-A1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS F.HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO claimed
EP-2903613-B1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2017-11-22 EP disclosed
US-9586948-B2 Inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150274708-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
EP-2903613-A1 INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2015-08-12 EP disclosed
WO-2014058691-A1 INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2014-04-17 WO disclosed
EP-1458380-B1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20080009485-A1 Methods for the use of inhibitors of cytosolic phospholipase A2 in the treatment of thrombosis WYETH (US) 2008-01-10 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 (2 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-20080009485-A1 Methods for the use of inhibitors of cytosolic phospholipase A2 in the treatment of thrombosis PLA2G12A, PLA2G1B, PLA2G5 ADRB1 2018/4885HTR3E 1356/4885HTR3B 779/4885
US-20150274708-A1 INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 ADRB1 1883/4885HTR3E 3819/4885HTR3B 3738/4885

“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.