SCHEMBL855496

SCHEMBL855496

CN(C)c1ccc(CNc2ccc(Br)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
MAPT P10636 7/20 0.60
NPC1 O15118 5/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
RAB9A P51151 4/20 0.60
KMT2A Q03164 3/20 0.60
GAA P10253 3/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NOS1 P29475 1/20 0.52
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.49

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
SCHEMBL856237 0.91 CA1 (0.70) CA1CA2CA9MAPTNPC1
SCHEMBL855759 0.84 ALDH1A1 (0.62) CA1CA2CA9MAPTNPC1
SCHEMBL855663 0.84 ALDH1A1 (0.64) CA1CA2CA9MAPTNPC1
SCHEMBL855107 0.82 CA1 (0.60) CA1CA2CA9MAPTNPC1
SCHEMBL2990622 0.82 CA1 (0.65) CA1CA2CA9MAPTNPC1
SCHEMBL854854 0.82 CNR2 (0.71) CA1CA2CA9MAPTNPC1
SCHEMBL16846471 0.82 CA1 (0.60) CA1CA2CA9MAPTNPC1
SCHEMBL855757 0.81 CA1 (0.59) CA1CA2CA9MAPTNPC1
SCHEMBL7345587 0.81 HTT (0.63) CA1CA2CA9MAPTNPC1
SCHEMBL855265 0.81 CA1 (0.59) CA1CA2CA9MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1318140-B9 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-05-21 EP disclosed
CN-1474803-B Amide derivatives and their use for the preparation of medicaments MITSUBISHI TANABE PHARMA CORP 2012-11-21 CN disclosed
US-8198454-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-12 US disclosed
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1318140-B1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-05-18 EP disclosed
CN-102050758-A Novel amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORP 2011-05-11 CN disclosed
US-7855297-B2 Amide derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-12-21 US disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-20100041656-A1 Novel amide derivatives and medicinal use thereof NAKAMURA MITSUBARU 2010-02-18 US disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
CN-1231464-C Novel 3-substituted urea derivatives and pharmaceutical use thereof MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-12-14 CN disclosed
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-15 US disclosed
CN-1474803-A Novel amide derivative and medical use thereof ������ҩ��ʽ���� 2004-02-11 CN disclosed
CN-1466569-A Novel 3-substituted urea derivatives and pharmaceutical use thereof ������ҩ��ʽ���� 2004-01-07 CN disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1318140-A1 NOVEL AMIDE DERIVATIVES AND MEDICINAL USE THEREOF UGS Mitsubishi Pharma Corporation (JP) 2003-06-11 EP disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 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 (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-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 AGER 36/4885CA1 2217/4885CA2 4353/4885
US-20100041656-A1 Novel amide derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 AGER 65/4885CA1 1182/4885CA2 3196/4885
US-20040138223-A1 Novel amide derivatives and medicinal use thereof ugs C5AR1, C5AR2, C1S AGER 37/4885CA1 1620/4885CA2 3991/4885

“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.