SCHEMBL5459614

SCHEMBL5459614

Cc1ccc2nc(N[C@H]3CCC[C@H](NCc4ccccc4OC(F)(F)F)C3)nc(N)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.42
ADRA2A P08913 4/20 0.42
DCPS Q96C86 1/20 0.39
EPHX2 P34913 2/20 0.38
TACR1 P25103 1/20 0.37
PRKCQ Q04759 2/20 0.35
NPY5R Q15761 2/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
F2R P25116 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3947195 0.83 DCPS (0.53) MCHR1ADRA2ADCPSEPHX2KDM4E
Hydrochloric Acid SCHEMBL6614692 0.83 MCHR1 (0.51) MCHR1ADRA2ADCPSEPHX2PRKCQ
Hydrochloric Acid SCHEMBL6626936 0.81 ADRA2A (0.52) MCHR1ADRA2ADCPSEPHX2NPY5R
SCHEMBL5449944 0.80 MCHR1 (0.53) MCHR1KDM4EMEN1TP53CYP1A2
SCHEMBL5447272 0.77 KDM1A (0.38) MCHR1KDM4EMEN1TP53CYP1A2
SCHEMBL5467840 0.76 MCHR1 (0.55) MCHR1
SCHEMBL3947662 0.73 MCHR1 (0.52) MCHR1ADRA2ADCPSNPY5R
Hydrochloric Acid SCHEMBL6604157 0.69 ADRA2A (0.54) MCHR1ADRA2ANPY5R
SCHEMBL13793982 0.68 ADRA2A (0.61) MCHR1ADRA2AEPHX2NPY5RCYP1A2
Hydrochloric Acid SCHEMBL3940142 0.67 ADRA2A (0.60) MCHR1ADRA2AEPHX2NPY5RCYP1A2

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-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 US claimed
US-20070185119-A1 Therapeutic agents II ASTRAZENECA AB (SE) 2007-08-09 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-20070185119-A1 Therapeutic agents II HTT, ACHE, GPR119 MCHR1 968/4885ADRA2A 702/4885DCPS 3833/4885

“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.