SCHEMBL18502885

SCHEMBL18502885

Cc1cc(N2CCN(C)CC2=O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
ACVR1 Q04771 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
GRM4 Q14833 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
NTRK1 P04629 2/20 0.36
CSF1R P07333 2/20 0.36
NTRK2 Q16620 2/20 0.36
PTK2 Q05397 3/20 0.36
UHRF1 Q96T88 1/20 0.35
P2RX7 Q99572 1/20 0.35
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL18563092 0.79 HRH4 (0.35) GRM4HRH4UHRF1P2RX7
SCHEMBL3557930 0.79 SLC6A2 (0.45) SLC6A2SLC6A4ACVR1L3MBTL1TLR7
SCHEMBL11117415 0.78 ALDH1A1 (0.48) L3MBTL1
SCHEMBL14490258 0.77 DRD3 (0.51) SLC6A2SLC6A4ACVR1L3MBTL1HTR1A
SCHEMBL12879707 0.75 L3MBTL1 (0.51) SLC6A2SLC6A4L3MBTL1
SCHEMBL18502949 0.75 SLC6A2 (0.46) SLC6A2SLC6A4GRM4HRH4UHRF1
SCHEMBL8343043 0.74 SLC6A2 (0.41) SLC6A2SLC6A4ACVR1L3MBTL1HTR1A
SCHEMBL18502950 0.74 WNT3A (0.44)
SCHEMBL8340776 0.74 L3MBTL1 (0.56) SLC6A2SLC6A4L3MBTL1
SCHEMBL3583629 0.74 SLC6A2 (0.46) SLC6A2SLC6A4ACVR1L3MBTL1P2RX7

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-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 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 (3 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 SLC6A2 2030/4885SLC6A4 3036/4885ACVR1 219/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 SLC6A2 1806/4885SLC6A4 2771/4885ACVR1 274/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 SLC6A2 2030/4885SLC6A4 3036/4885ACVR1 219/4885

“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.