SCHEMBL4257973

SCHEMBL4257973

CCOc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3cc(N(C)C)nc(C)n3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.59
RAB9A P51151 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CNR1 P21554 1/20 0.48
KCNH2 Q12809 1/20 0.48
AURKB Q96GD4 1/20 0.48
ADRA2A P08913 5/20 0.47
HRH1 P35367 3/20 0.47
HTR2B P41595 3/20 0.47
ADRA1A P35348 2/20 0.47
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4257979 1.00 MCHR1 (0.59) MCHR1RAB9AHPGDSMN1; SMN2CNR1
SCHEMBL4266403 0.91 CNR1 (0.56) MCHR1RAB9AHPGDSMN1; SMN2CNR1
SCHEMBL4266415 0.91 CNR1 (0.56) MCHR1RAB9AHPGDSMN1; SMN2CNR1
SCHEMBL4263678 0.90 MCHR1 (0.73) MCHR1RAB9ASMN1; SMN2CNR1KCNH2
SCHEMBL4263683 0.90 MCHR1 (0.73) MCHR1RAB9ASMN1; SMN2CNR1KCNH2
SCHEMBL4256960 0.88 MCHR1 (0.60) MCHR1RAB9AHPGDSMN1; SMN2CNR1
SCHEMBL4256961 0.88 MCHR1 (0.60) MCHR1RAB9AHPGDSMN1; SMN2CNR1
SCHEMBL4262596 0.87 MCHR1 (0.59) MCHR1RAB9ASMN1; SMN2CNR1KCNH2
SCHEMBL4262590 0.87 MCHR1 (0.59) MCHR1RAB9ASMN1; SMN2CNR1KCNH2
SCHEMBL4263612 0.86 MCHR1 (0.60) MCHR1CNR1KCNH2AURKBADRA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 MCHR1 3/4885RAB9A 3025/4885HPGD 1732/4885

“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.