SCHEMBL6464657

SCHEMBL6464657

CN(C)c1cc(NC2CC[CH]CC2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM1A O60341 1/20 0.42
ACP1 P24666 3/20 0.40
ADRA2A P08913 9/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL6455735 0.86 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2KDM1A
SCHEMBL6465613 0.86 MCHR1 (0.53) MCHR1KDM4ELMNASMN1; SMN2KDM1A
Hydrochloric Acid SCHEMBL6930413 0.85 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2ACP1
Hydrochloric Acid SCHEMBL6459228 0.85 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2ACP1
SCHEMBL6867658 0.83 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2ACP1
SCHEMBL6867655 0.83 MCHR1 (0.48) MCHR1KDM4ELMNASMN1; SMN2ACP1
SCHEMBL6464399 0.83 MCHR1 (0.52) MCHR1KDM4ELMNASMN1; SMN2KDM1A
SCHEMBL6874577 0.83 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6874583 0.83 LMNA (0.52) MCHR1KDM4ELMNASMN1; SMN2ADRA2A
SCHEMBL6879865 0.82 MCHR1 (0.57) MCHR1KDM4ELMNASMN1; SMN2ADRA2A

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 1 patent. 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 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 2/4885KDM4E 1190/4885LMNA 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.