SCHEMBL6463778

SCHEMBL6463778

Cc1cc(N[C@H]2CC[C@@H](NC(=O)c3cccc(CO)c3)CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.55
MCHR1 Q99705 11/20 0.55
ADRA2A P08913 10/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
MAPK1 P28482 1/20 0.45
BRD4 O60885 1/20 0.45
ADRA1A P35348 2/20 0.45
HRH1 P35367 2/20 0.45
HTR2B P41595 2/20 0.45
HTR1A P08908 1/20 0.45
NPY5R Q15761 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
SCHEMBL6463784 1.00 SMYD3 (0.55) SMYD3MCHR1ADRA2ALMNAKDM4E
Hydrochloric Acid SCHEMBL6463229 0.99 SMYD3 (0.54) SMYD3MCHR1ADRA2ALMNAKDM4E
Hydrochloric Acid SCHEMBL6463223 0.99 SMYD3 (0.54) SMYD3MCHR1ADRA2ALMNAKDM4E
SCHEMBL6461781 0.90 MCHR1 (0.66) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6461776 0.90 MCHR1 (0.66) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6455762 0.89 MCHR1 (0.65) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6455751 0.89 MCHR1 (0.65) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6461968 0.87 KDM4E (0.58) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6461964 0.87 KDM4E (0.58) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6456788 0.86 MCHR1 (0.66) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2

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 SMYD3 929/4885MCHR1 2/4885ADRA2A 117/4885

“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.