SCHEMBL4581689

SCHEMBL4581689

CC(C)OCCCNc1nccc(N2CCNC(=O)C2c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
OGA O60502 2/20 0.39
HRH4 Q9H3N8 6/20 0.39
HTR7 P34969 2/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL4581947 0.90 OGA (0.43) KDM4EMAPTOGAHRH4HTR7
SCHEMBL4580238 0.86 HRH4 (0.48) ALDH1A1OGAHRH4HTR7ADRA2B
SCHEMBL4581037 0.86 MKNK1 (0.48) OGAHRH4HTR7ADRA2BADRA2C
SCHEMBL4581701 0.86 HRH4 (0.44) ALDH1A1OGAHRH4HTR7ADRA2B
SCHEMBL4581886 0.84 OGA (0.48) OGAHRH4HTR7ADRA2BADRA2C
SCHEMBL4581007 0.84 HRH4 (0.54) OGAHRH4IDH1
SCHEMBL4580672 0.83 OGA (0.48) OGAHRH4HTR7ADRA2BADRA2C
SCHEMBL4580354 0.82 OGA (0.55) OGAHRH4HTR7ADRA2BADRA2C
SCHEMBL4582144 0.81 HRH4 (0.43) OGAHRH4IDH1
SCHEMBL4581890 0.81 IDH1 (0.54) OGAHRH4HTR7ADRA2BADRA2C

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-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US claimed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 US claimed
US-7323464-B2 Pyridine and pyrimidine derivatives CELLTECH R&D LIMITED (GB) 2008-01-29 US disclosed
US-20050080258-A1 Pyridine and pyrimidine derivatives GENTEX CORPORATION 2005-04-14 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-20050080258-A1 Pyridine and pyrimidine derivatives ROR1, MAPK1, IRAK1 KDM4E 1283/4885MAPT 4128/4885ALDH1A1 682/4885

“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.