SCHEMBL31370592

SCHEMBL31370592

Cn1ccc2c(CCN)cccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.62
HTR1D P28221 2/20 0.52
HTR6 P50406 2/20 0.52
HTR1A P08908 1/20 0.52
HTR1B P28222 1/20 0.52
HTR1F P30939 1/20 0.52
HTR7 P34969 1/20 0.52
DRD3 P35462 1/20 0.52
RHEB Q15382 1/20 0.45
ADRB2 P07550 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL8093101 0.88 HTR2A (0.49) HTR2AHTR1DHTR6HTR1AHTR1B
SCHEMBL112354 0.85 HTR2A (0.47) HTR2AHTR1DHTR6HTR1AHTR1B
SCHEMBL17784718 0.82 HDAC1 (0.44) HTR2AHTR1DHTR6HTR1AHTR1B
SCHEMBL7453176 0.81 KDM4E (0.45) HTR2AHTR1DHTR6HTR1AHTR1B
SCHEMBL8739002 0.79 MAPT (0.46) HTR2ARHEBGPR84KDM4EALDH1A1
SCHEMBL10968328 0.78 HDAC1 (0.39) HTR2AHTR1DHTR6HTR1AHTR1B
SCHEMBL8659188 0.78 HDAC1 (0.39) HTR2AHTR1DHTR6HTR1AHTR1B
SCHEMBL15105484 0.78 KDM4E (0.44) HTR2ARHEBGPR84KDM4EALDH1A1
SCHEMBL22746838 0.78 ALDH1A1 (0.44) HTR2ARHEBGPR84KDM4EALDH1A1
SCHEMBL1288089 0.78 KDM4E (0.48) HTR2ARHEBGPR84KDM4EALDH1A1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 HTR2A 2719/4885HTR1D 3467/4885HTR6 3245/4885

“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.