SCHEMBL18508459

SCHEMBL18508459

Cc1nncc(C2CCCCCCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
TLR8 Q9NR97 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ABL1 P00519 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL20402756 1.00 L3MBTL1 (0.37) L3MBTL1CTSKCTSSCYP11B1CYP11B2
SCHEMBL20402747 0.77 HRH4 (0.47) L3MBTL1HRH4
SCHEMBL24087860 0.77 MIF (0.38) L3MBTL1CTSKCTSSCYP11B2HTR1A
SCHEMBL21133394 0.77 HRH4 (0.47) L3MBTL1HRH4
SCHEMBL24253821 0.74 ALDH1A1 (0.42) L3MBTL1CYP11B2HTR1ADRD2HTR2A
SCHEMBL22341033 0.72 L3MBTL1 (0.39) L3MBTL1CTSKCTSSCYP11B2ABL1
SCHEMBL20402786 0.72 ALDH1A1 (0.53) CYP11B2HRH4NPC1RAB9A
SCHEMBL18508430 0.72 ALDH1A1 (0.53) CYP11B2HRH4NPC1RAB9A
SCHEMBL19626478 0.71 L3MBTL1 (0.38) L3MBTL1CTSKCTSSCYP11B2HTR1A
SCHEMBL10874992 0.69 L3MBTL1 (0.36) L3MBTL1CYP11B2HRH4ABL1

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 2 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-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 (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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 L3MBTL1 4841/4885CTSK 3575/4885CTSS 1147/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 L3MBTL1 4862/4885CTSK 3231/4885CTSS 839/4885

“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.