SCHEMBL6464205

SCHEMBL6464205

O=C(COc1cccc(Cl)c1)N[C@H]1CC[C@@H](Nc2ccc3ccccc3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.60
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
ATF4 P18848 1/20 0.49
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL6464212 1.00 MCHR1 (0.60) MCHR1HPGDHTTRAB9AKDM4E
Hydrochloric Acid SCHEMBL6460161 0.99 MCHR1 (0.59) MCHR1HPGDHTTRAB9AKDM4E
Hydrochloric Acid SCHEMBL6460152 0.99 MCHR1 (0.59) MCHR1HPGDHTTRAB9AKDM4E
SCHEMBL6462820 0.88 HPGD (0.60) MCHR1HPGDHTTRAB9AALDH1A1
SCHEMBL6462809 0.88 HPGD (0.60) MCHR1HPGDHTTRAB9AALDH1A1
SCHEMBL6460432 0.88 HPGD (0.57) MCHR1HPGDHTTRAB9ACYP1A2
SCHEMBL6460117 0.88 SMN1; SMN2 (0.62) MCHR1HPGDHTTRAB9AKDM4E
SCHEMBL6460127 0.88 SMN1; SMN2 (0.62) MCHR1HPGDHTTRAB9AKDM4E
SCHEMBL6460438 0.88 HPGD (0.57) MCHR1HPGDHTTRAB9ACYP1A2
SCHEMBL6462242 0.88 HPGD (0.57) MCHR1HPGDHTTRAB9AALDH1A1

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 2/4885HPGD 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.