SCHEMBL6465203

SCHEMBL6465203

Cc1cc(N[C@H]2CC[C@@H](NC(=O)c3ccc(F)cc3)CC2)nc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.64
ADRA2A P08913 6/20 0.64
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ADRA1A P35348 2/20 0.53
HRH1 P35367 2/20 0.53
HTR2B P41595 2/20 0.53
HTR1A P08908 1/20 0.53
NPY5R Q15761 1/20 0.53
RXFP1 Q9HBX9 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 2/20 0.48
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 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
SCHEMBL6465209 1.00 MCHR1 (0.64) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6458685 0.99 MCHR1 (0.63) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6458677 0.99 MCHR1 (0.63) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6458000 0.93 LMNA (0.59) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6458010 0.93 LMNA (0.59) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6457804 0.92 LMNA (0.58) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6457796 0.92 LMNA (0.58) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6459407 0.91 SMN1; SMN2 (0.62) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6459395 0.91 SMN1; SMN2 (0.62) MCHR1ADRA2ALMNAKDM4ESMN1; SMN2
SCHEMBL6460964 0.91 MCHR1 (0.58) 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 MCHR1 2/4885ADRA2A 117/4885LMNA 3391/4885

“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.