SCHEMBL6462242

SCHEMBL6462242

O=C(COc1ccc(F)c(Cl)c1)N[C@H]1CC[C@@H](Nc2ccc3ccccc3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 1/20 0.57
ATF4 P18848 6/20 0.49
LMNA P02545 4/20 0.47
MCHR1 Q99705 2/20 0.47
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6462249 1.00 HPGD (0.57) HPGDRAB9AHTTATF4LMNA
Hydrochloric Acid SCHEMBL6457541 0.99 HPGD (0.56) HPGDRAB9AHTTATF4LMNA
Hydrochloric Acid SCHEMBL6457548 0.99 HPGD (0.56) HPGDRAB9AHTTATF4LMNA
SCHEMBL6462820 0.92 HPGD (0.60) HPGDRAB9AHTTATF4LMNA
SCHEMBL6462809 0.92 HPGD (0.60) HPGDRAB9AHTTATF4LMNA
Hydrochloric Acid SCHEMBL6455891 0.91 HPGD (0.59) HPGDRAB9AHTTATF4LMNA
Hydrochloric Acid SCHEMBL6455884 0.91 HPGD (0.59) HPGDRAB9AHTTATF4LMNA
SCHEMBL6464212 0.88 MCHR1 (0.60) HPGDRAB9AHTTATF4MCHR1
SCHEMBL6464205 0.88 MCHR1 (0.60) HPGDRAB9AHTTATF4MCHR1
Hydrochloric Acid SCHEMBL6460152 0.87 MCHR1 (0.59) HPGDRAB9AHTTATF4MCHR1

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 HPGD 2310/4885RAB9A 1648/4885HTT 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.