SCHEMBL8611203

SCHEMBL8611203

c1ccc(ON2CCNCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.52
HTR1A P08908 4/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 3/20 0.49
SLC6A4 P31645 2/20 0.49
SIGMAR1 Q99720 7/20 0.48
ADRB1 P08588 5/20 0.48
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3A P46098 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR5A P47898 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
HTR2A P28223 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL15517942 0.88 LTA4H (0.44) LTA4HHTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL7171239 0.84 LTA4H (0.43) LTA4HHTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL28186645 0.81 ADRB1 (0.40) LTA4HHTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL1827943 0.79 LTA4H (0.40) LTA4HCYP2C19
SCHEMBL1829382 0.79 LTA4H (0.39) LTA4HMEN1KMT2A
SCHEMBL7434267 0.79 HTR1A (0.50) HTR1ASLC6A2SLC6A3SLC6A4SIGMAR1
SCHEMBL1283273 0.79 ADRB1 (0.35) LTA4HHTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL28670444 0.79 TDP1 (0.39) LTA4HHTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL28643916 0.77 CYP2D6 (0.41) LTA4HSIGMAR1HRH1MEN1KMT2A
Hydrochloric Acid SCHEMBL5223635 0.77 LTA4H (0.38) LTA4HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399951-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-09-03 US disclosed
CN-1090480-C Phenoxy piperazine derivatives for treating disorders of dopamine system HOFMANN LA ROCHE AG F (CH) 2002-09-11 CN disclosed
CN-1090480-C Phenoxy piperazine derivatives for treating disorders of dopamine system HOFMANN LA ROCHE AG F (CH) 2002-09-11 CN disclosed
CN-1187128-A Phenoxy piperazine derivatives for treating disorders of dopamine system HOFFMANN LA ROCHE (CH) 1998-07-08 CN disclosed
CN-1187128-A Phenoxy piperazine derivatives for treating disorders of dopamine system HOFFMANN LA ROCHE (CH) 1998-07-08 CN disclosed
EP-0833639-A1 PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1998-04-08 EP disclosed
EP-0833639-A1 PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1998-04-08 EP disclosed
US-5614526-A IN TREATING DISORDERS OF THE DOPAMINE SYSTEM HOFFMANN-LA ROCHE INC. (US) 1997-03-25 US disclosed
WO-1996041630-A1 PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1996-12-27 WO disclosed
WO-1996041630-A1 PHENOXY PIPERAZINE DERIVATIVES FOR TREATING DISORDERS OF THE DOPAMINE SYSTEM F. HOFFMANN-LA ROCHE AG (CH) 1996-12-27 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-10399951-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD LTA4H 1099/4885HTR1A 3377/4885SLC6A2 3889/4885

“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.