SCHEMBL16220591

SCHEMBL16220591

Bc1cnn2c1CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CYP2C19 P33261 1/20 0.45
▸ F2 P00734 1/20 0.43
▸ F12 P00748 1/20 0.43
▸ GRIN2B Q13224 4/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ TMEM97 Q5BJF2 6/20 0.42
▸ SIGMAR1 Q99720 6/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ DRD1 P21728 1/20 0.42

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
SCHEMBL16379679 0.86 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23778959 0.86 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16217176 0.86 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31173483 0.86 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31173444 0.84 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16210656 0.83 PTGDR2 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29308600 0.80 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30320393 0.77 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31173554 0.76 TMEM97 (0.39) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16221370 0.76 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 — — EP disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 — — US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 — — US disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 — — WO disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 — — 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A MEN1 3132/4885KMT2A 1941/4885NPSR1 235/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A MEN1 3132/4885KMT2A 1941/4885NPSR1 235/4885

“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.

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