SCHEMBL6461587

SCHEMBL6461587

CN(C)c1cc(NC2CCC(CNC(=O)c3ccc(Br)s3)CC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.46
NPY5R Q15761 5/20 0.46
ADRA2A P08913 4/20 0.46
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 1/20 0.40
ACKR3 P25106 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAPEPLD Q6IQ20 2/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL6461583 1.00 MCHR1 (0.46) MCHR1NPY5RADRA2ADYRK1ADYRK1B
SCHEMBL6459486 0.90 MCHR1 (0.44) MCHR1NPY5RADRA2ADYRK1ADYRK1B
SCHEMBL6459475 0.90 MCHR1 (0.44) MCHR1NPY5RADRA2ADYRK1ADYRK1B
SCHEMBL6458843 0.89 HPGD (0.48) MCHR1NPY5RADRA2ANPC1RAB9A
SCHEMBL6458853 0.89 HPGD (0.48) MCHR1NPY5RADRA2ANPC1RAB9A
SCHEMBL6874524 0.89 MCHR1 (0.47) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6874532 0.89 MCHR1 (0.47) MCHR1NPY5RADRA2AACACBACACA
SCHEMBL6463906 0.88 KMT2A (0.42) MCHR1NPY5RADRA2ADYRK1ADYRK1B
SCHEMBL6458473 0.88 KMT2A (0.42) MCHR1NPY5RADRA2ADYRK1ADYRK1B
SCHEMBL6878852 0.86 MCHR1 (0.51) MCHR1NPY5RADRA2AACACBACACA

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-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 claimed
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 claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
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 (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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885NPY5R 8/4885ADRA2A 117/4885

“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.