SCHEMBL6458392

SCHEMBL6458392

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=O)Cc3c[nH]c4ccccc34)CC2)nc2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
NPY5R Q15761 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
ACHE P22303 6/20 0.46
BCHE P06276 5/20 0.46
MCHR1 Q99705 2/20 0.43
ADRA2A P08913 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6458400 1.00 APP (0.49) APPHPGDHTTRECQLNPY5R
SCHEMBL6875174 0.88 LMNA (0.53) APPHTTACHEBCHEMCHR1
SCHEMBL6467595 0.88 LMNA (0.53) APPHTTACHEBCHEMCHR1
SCHEMBL6876052 0.86 NPY5R (0.46) APPHTTNPY5RACHEBCHE
SCHEMBL6457143 0.86 NPY5R (0.46) APPHTTNPY5RACHEBCHE
SCHEMBL13793340 0.86 MCHR1 (0.58) HPGDHTTRECQLNPY5RSIGMAR1
SCHEMBL6867789 0.86 MCHR1 (0.46) NPY5RSIGMAR1MCHR1ADRA2APOLB
SCHEMBL6874755 0.86 SIGMAR1 (0.49) APPSIGMAR1ACHEBCHEMCHR1
SCHEMBL6874760 0.86 SIGMAR1 (0.49) APPSIGMAR1ACHEBCHEMCHR1
SCHEMBL6458749 0.85 MCHR1 (0.42) NPY5RSIGMAR1MCHR1ADRA2A

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 APP 483/4885HPGD 2310/4885HTT 500/4885

“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.