SCHEMBL4259756

SCHEMBL4259756

CCN(C)c1nccc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
ACACB O00763 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RPS6KA5 O75582 2/20 0.33
RPS6KA4 O75676 2/20 0.33
MAT2A P31153 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
DPP4 P27487 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22576537 0.85 TAAR1 (0.38) TAAR1ACACBHRH3MTNR1AMTNR1B
SCHEMBL11318303 0.82 TDP1 (0.49) TAAR1ACACBMAPTALDH1A1L3MBTL1
SCHEMBL4263326 0.79 POLB (0.42) TAAR1MAPTHRH3TDP1MTNR1A
SCHEMBL4262005 0.79 TAAR1 (0.41) TAAR1MAPTKDM4E
SCHEMBL13403154 0.78 ALOX15 (0.36) ACACBHRH3MTNR1AMTNR1BKMT2A
SCHEMBL10144707 0.76 HRH3 (0.41) ACACBMAPTALDH1A1HRH3MTNR1A
SCHEMBL6085711 0.74 ALDH1A1 (0.42) ACACBMAPTALDH1A1MTNR1AMTNR1B
SCHEMBL13384561 0.73 ACACB (0.39) ACACBHRH3MTNR1AMTNR1B
SCHEMBL7503109 0.73 MAPT (0.50) TAAR1MAPTALDH1A1L3MBTL1TDP1
SCHEMBL4995064 0.72 UTS2R (0.39) TAAR1MAPTALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 TAAR1 37/4885ACACB 3035/4885MAPT 517/4885
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 TAAR1 35/4885ACACB 1914/4885MAPT 412/4885

“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.