SCHEMBL6462123

SCHEMBL6462123

Cc1cc(N[C@H]2CC[C@@H](NC(=O)c3cc(F)c(F)c(F)c3)CC2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MCHR1 Q99705 11/20 0.54
ADRA2A P08913 10/20 0.54
HTR1A P08908 1/20 0.54
ADRA1A P35348 1/20 0.54
HRH1 P35367 1/20 0.54
HTR2B P41595 1/20 0.54
NPY5R Q15761 1/20 0.54
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 2/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 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
SCHEMBL6462130 1.00 LMNA (0.58) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6456325 0.99 LMNA (0.57) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6456331 0.99 LMNA (0.57) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6461509 0.91 MCHR1 (0.66) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6461515 0.91 MCHR1 (0.66) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6458000 0.91 LMNA (0.59) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
SCHEMBL6458010 0.91 LMNA (0.59) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6457534 0.90 MCHR1 (0.65) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6457539 0.90 MCHR1 (0.65) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A
Hydrochloric Acid SCHEMBL6457804 0.90 LMNA (0.58) LMNAKDM4ESMN1; SMN2MCHR1ADRA2A

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 LMNA 3391/4885KDM4E 1190/4885SMN1; SMN2 1477/4885

“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.