SCHEMBL6464545

SCHEMBL6464545

O=C(N[C@H]1CC[C@@H](Nc2ccc3ccccc3n2)CC1)c1cccnc1Oc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6464551 1.00 PDE10A (0.49) PDE10APOLBKDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6455790 0.99 PDE10A (0.49) PDE10APOLBKDM4EALDH1A1RAB9A
Hydrochloric Acid SCHEMBL6455787 0.99 PDE10A (0.49) PDE10APOLBKDM4EALDH1A1RAB9A
SCHEMBL6459182 0.93 PDE10A (0.50) PDE10AALDH1A1CNR1CNR2
SCHEMBL6459172 0.93 PDE10A (0.50) PDE10AALDH1A1CNR1CNR2
Hydrochloric Acid SCHEMBL6462617 0.92 PDE10A (0.49) PDE10AALDH1A1CNR1CNR2
Hydrochloric Acid SCHEMBL6462623 0.92 PDE10A (0.49) PDE10AALDH1A1CNR1CNR2
SCHEMBL6456996 0.91 L3MBTL1 (0.54) PDE10ARAB9ANPC1CNR1CNR2
SCHEMBL6462127 0.91 PDE10A (0.49) PDE10AALDH1A1CNR1CNR2L3MBTL1
SCHEMBL6465823 0.91 PDE10A (0.49) PDE10ACNR1CNR2PDE4BL3MBTL1

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 PDE10A 1335/4885POLB 3369/4885KDM4E 1190/4885

“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.