SCHEMBL21138824

SCHEMBL21138824

COc1cc(C2CCNCC2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.50
HTR1A P08908 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ADRB2 P07550 1/20 0.42
HTR6 P50406 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR8 Q9NR97 2/20 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
SCHEMBL22648456 0.83 HTR2C (0.40) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29862675 0.77 HTR3E (0.47) HTR2CHTR1ASLC6A2SLC6A3ALDH1A1
SCHEMBL21138823 0.75 ADRB2 (0.56) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL21816689 0.74 HTR2C (0.46) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL8563546 0.73 HTR2C (0.40) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL900276 0.72 NCF1 (0.68) ALDH1A1LMNATP53CYP1A2CYP3A4
SCHEMBL30061016 0.72 HTR2C (0.50) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1144335 0.71 HTR2C (0.44) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4879030 0.70 DDB1 (0.50) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL900393 0.70 ADRB2 (0.50) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT HTR2C 672/4885HTR1A 676/4885SLC6A2 1396/4885

“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.