SCHEMBL6456892

SCHEMBL6456892

CN(C)c1cc(N[C@H]2CC[C@@H](CNC(=O)Nc3cccc(Cl)c3Cl)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPY5R Q15761 7/20 0.41
MCHR1 Q99705 4/20 0.41
ADRA2A P08913 3/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
NUDT1 P36639 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6456897 1.00 MEN1 (0.42) MEN1KMT2ANPY5RMCHR1ADRA2A
Hydrochloric Acid SCHEMBL6459011 0.99 MEN1 (0.41) MEN1KMT2ANPY5RMCHR1ADRA2A
Hydrochloric Acid SCHEMBL6459006 0.99 MEN1 (0.41) MEN1KMT2ANPY5RMCHR1ADRA2A
SCHEMBL6878437 0.94 NPY5R (0.43) NPY5RMCHR1ADRA2APOLBRAB9A
SCHEMBL6878430 0.94 NPY5R (0.43) NPY5RMCHR1ADRA2APOLBRAB9A
SCHEMBL6867931 0.93 TP53 (0.46) MEN1KMT2ANPY5RMCHR1ADRA2A
SCHEMBL6867927 0.93 TP53 (0.46) MEN1KMT2ANPY5RMCHR1ADRA2A
SCHEMBL6868239 0.91 NPY5R (0.43) NPY5RMCHR1ADRA2APOLBACACB
SCHEMBL6868236 0.91 NPY5R (0.43) NPY5RMCHR1ADRA2APOLBACACB
SCHEMBL6462990 0.89 LMNA (0.49) MEN1KMT2ANPY5RMCHR1POLB

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 4 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
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
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 MEN1 734/4885KMT2A 693/4885NPY5R 8/4885

“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.