SCHEMBL16616936

SCHEMBL16616936

[c]1n[nH]c2cccc(CC3CC3)c12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.36
HTR1A P08908 4/20 0.33
ADRA2A P08913 4/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
IDO1 P14902 1/20 0.33
GBA1 P04062 1/20 0.32
KCNH2 Q12809 1/20 0.32
ADORA2A P29274 1/20 0.30

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
SCHEMBL1176402 0.73 GABRA1 (0.41) HTR1AADRA2AADRA2BADRA2C
SCHEMBL6048289 0.70 LIPG (0.39) KCNH2
SCHEMBL3321573 0.68 MPO (0.41) SLC6A4IDO1
SCHEMBL2158571 0.68 SLC6A4 (0.36) SLC6A4HTR1AADRA2AADRA2BADRA2C
SCHEMBL395374 0.66 GAA (0.33)
SCHEMBL8932347 0.61 ACHE (0.44) SLC6A4ADRA2AADRA2BADRA2C
SCHEMBL647458 0.60 NOS1 (0.50)
SCHEMBL3249871 0.60 CYP2D6 (0.61) SLC6A4
SCHEMBL12765737 0.60 SLC6A4 (0.81) SLC6A4
SCHEMBL1703916 0.59 CYP3A4 (0.37) SLC6A4HTR1AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2018-11-15 US disclosed
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2018-09-18 US disclosed
EP-2892892-B1 IMIDAZOLIN-5-ONE DERIVATIVES USEFUL AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-07 US disclosed
US-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA, NV (BE) 2015-04-09 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 (4 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-20150099730-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 SLC6A4 4806/4885HTR1A 1754/4885ADRA2A 3132/4885
US-10077261-B2 Imidazolin-5-one derivative useful as FASN inhibitors for the treatment of cancer FASN, PLIN1, FABP1 SLC6A4 4806/4885HTR1A 1754/4885ADRA2A 3132/4885
US-20180327401-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 SLC6A4 4806/4885HTR1A 1754/4885ADRA2A 3132/4885
US-20160002219-A1 IMIDAZOLIN-5-ONE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, PLIN1, FABP1 SLC6A4 4806/4885HTR1A 1754/4885ADRA2A 3132/4885

“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.