SCHEMBL13633466

SCHEMBL13633466

CCn1ccnc(NC2CCN(CCOc3ccccc3)CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.49
HTR7 P34969 12/20 0.49
LTA4H P09960 3/20 0.48
KDM1A O60341 1/20 0.46
DRD2 P14416 1/20 0.45
HTR6 P50406 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL13633425 0.88 LTA4H (0.48) HTR1AHTR7LTA4HKDM1ADRD2
SCHEMBL13633428 0.88 LTA4H (0.48) HTR1AHTR7LTA4HKDM1ADRD2
SCHEMBL13633489 0.86 HTR1A (0.46) HTR1AHTR7LTA4HKDM1ADRD2
SCHEMBL13633479 0.85 KCNA5 (0.47) HTR1AHTR7LTA4HKDM1APOLB
SCHEMBL13404478 0.85 SIGMAR1 (0.49) SIGMAR1
SCHEMBL13404480 0.84 FLT3 (0.49) SIGMAR1
SCHEMBL13404508 0.82 NPC1 (0.53) SIGMAR1POLB
SCHEMBL13404492 0.81 OPRK1 (0.38) BRD4ATAD2
SCHEMBL13633486 0.81 KCNA5 (0.51) HTR1AHTR7LTA4HDRD2HTR6
SCHEMBL13633474 0.81 HTR1A (0.54) HTR1AHTR7LTA4HKDM1ADRD2

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-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 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-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 HTR1A 130/4885HTR7 388/4885LTA4H 3639/4885

“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.