SCHEMBL6459202

SCHEMBL6459202

CN(C)c1cc(NC2CCC(CNC(=O)c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)CC2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 3/20 0.40
▸ KDM1A O60341 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ PDE7A Q13946 2/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MCHR1 Q99705 4/20 0.37
▸ ADRA2A P08913 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 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
SCHEMBL6459198 1.00 NPY5R (0.40) NPY5RKDM1ARCOR1NPC1RAB9A
SCHEMBL6878328 0.92 PDE7A (0.47) NPY5RNPC1RAB9ATHRBPDE7A
SCHEMBL6878321 0.92 PDE7A (0.47) NPY5RNPC1RAB9ATHRBPDE7A
SCHEMBL6463677 0.92 NPC1 (0.48) NPY5RKDM1ARCOR1NPC1RAB9A
SCHEMBL6463670 0.92 NPC1 (0.48) NPY5RKDM1ARCOR1NPC1RAB9A
SCHEMBL13794126 0.88 MCHR1 (0.51) NPY5RMCHR1ADRA2A
SCHEMBL6876928 0.83 NPC1 (0.49) NPY5RNPC1RAB9APDE7APDE3A
SCHEMBL6460121 0.81 SMN1; SMN2 (0.46) NPY5RALDH1A1MAPTHPGDHTT
SCHEMBL6462575 0.81 SMN1; SMN2 (0.46) NPY5RALDH1A1MAPTHPGDHTT
SCHEMBL6875513 0.80 MCHR1 (0.46) KDM1ARCOR1NPC1RAB9ATHRB

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 NPY5R 8/4885KDM1A 1817/4885RCOR1 3199/4885

“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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