SCHEMBL5052739

SCHEMBL5052739

[CH2]CNCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.49
▸ KIF11 P52732 8/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ PPARA Q07869 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TMEM97 Q5BJF2 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ DNM1 Q05193 1/20 0.40

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
SCHEMBL1436108 0.82 PTPN1 (0.54) MAOBALDH1A1SCN8ATAAR1KCNH2
SCHEMBL6357114 0.81 MAOB (0.49) MAOBKIF11ALDH1A1PPARASCN8A
SCHEMBL16794563 0.79 MAOB (0.59) MAOBKIF11ALDH1A1SCN8ATAAR1
SCHEMBL4414015 0.79 SMN1; SMN2 (0.58) MAOBKIF11ALDH1A1PPARASCN8A
SCHEMBL14420391 0.79 HRH4 (0.56) MAOBKIF11ALDH1A1SCN8AKCNH2
SCHEMBL27900254 0.78 MAOB (0.57) MAOBKIF11TAAR1IDO1
SCHEMBL14021244 0.77 HRH4 (0.50) MAOBKIF11ALDH1A1PPARASCN8A
SCHEMBL2092499 0.77 KIF11 (0.57) MAOBKIF11ALDH1A1PPARATAAR1
Tert-Butylamine SCHEMBL5960929 0.76 MAOB (0.47) MAOBKIF11ALDH1A1PPARASCN8A
SCHEMBL3542893 0.75 SCN8A (0.47) MAOBKIF11ALDH1A1PPARASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266841-B2 Compounds GLAXO GROUP LIMITED (GB) 2016-02-23 — — US disclosed
US-20150045375-A1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2015-02-12 — — US disclosed
EP-1292611-B1 GLYCOPEPTIDE CARBOXY-SACCHARIDE DERIVATIVES THERAVANCE INC (US) 2008-03-12 — — EP 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-20150045375-A1 NOVEL COMPOUNDS PLA2G7, ALOX15B, PLA2G1B MAOB 445/4885KIF11 4841/4885ALDH1A1 514/4885

“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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