SCHEMBL6460116

SCHEMBL6460116

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.67
MCHR1 Q99705 8/20 0.67
MAPT P10636 3/20 0.54
LMNA P02545 3/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
CRHR1 P34998 1/20 0.53
PHGDH O43175 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BTK Q06187 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
PAK1 Q13153 1/20 0.47
TP53 P04637 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL6460123 1.00 ADRA2A (0.67) ADRA2AMCHR1MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL6455250 0.99 ADRA2A (0.66) ADRA2AMCHR1MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL6455255 0.99 ADRA2A (0.66) ADRA2AMCHR1MAPTLMNAKDM4E
SCHEMBL6867248 0.92 ADRA2A (0.57) ADRA2AMCHR1MAPTLMNAKDM4E
SCHEMBL6867255 0.92 ADRA2A (0.57) ADRA2AMCHR1MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL6459506 0.91 ADRA2A (0.56) ADRA2AMCHR1MAPTLMNAKDM4E
Hydrochloric Acid SCHEMBL6459511 0.91 ADRA2A (0.56) ADRA2AMCHR1MAPTLMNAKDM4E
SCHEMBL6878641 0.88 MCHR1 (0.72) ADRA2AMCHR1MAPTLMNAPOLB
SCHEMBL6878637 0.88 MCHR1 (0.72) ADRA2AMCHR1MAPTLMNAPOLB
SCHEMBL6456820 0.87 ADRA2A (0.66) ADRA2AMCHR1LMNAKDM4ESMN1; 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 ADRA2A 117/4885MCHR1 2/4885MAPT 517/4885

“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.