SCHEMBL6464706

SCHEMBL6464706

Cc1cc(N[C@H]2CC[C@@H](NC(=O)COc3cccc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.52
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 3/20 0.50
RXFP1 Q9HBX9 3/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
MAOB P27338 1/20 0.50
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TNKS O95271 2/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ATF4 P18848 1/20 0.46

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
SCHEMBL6464711 1.00 MCHR1 (0.52) MCHR1LMNAKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6457341 0.99 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6457335 0.99 MCHR1 (0.51) MCHR1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL6462845 0.91 MAPT (0.56) MCHR1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL6462839 0.91 MAPT (0.56) MCHR1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL6463886 0.91 ATF4 (0.58) MCHR1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL6463881 0.91 ATF4 (0.58) MCHR1LMNAKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6460917 0.90 MAPT (0.55) MCHR1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL6462345 0.90 SMN1; SMN2 (0.59) MCHR1LMNAKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL6460911 0.90 MAPT (0.55) MCHR1LMNAKDM4ESMN1; SMN2MAPT

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 2/4885LMNA 3391/4885KDM4E 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.