SCHEMBL20869596

SCHEMBL20869596

CCC[C@@H](c1ccncc1)c1c[nH]c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.73
FFAR1 O14842 2/20 0.73
CYP2D6 P10635 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 1/20 0.59
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MGAM O43451 6/20 0.48
GAA P10253 6/20 0.48
SI P14410 6/20 0.48
MGAM2 Q2M2H8 6/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL108954 0.90 GPR84 (0.84) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL29863235 0.85 GPR84 (1.00) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL5851244 0.85 GPR84 (1.00) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL15731796 0.80 MGAM (0.64) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL15709191 0.80 MGAM (0.64) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL30919353 0.80 MGAM (0.64) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL7290548 0.77 MAPT (0.59) GPR84FFAR1SLC6A2SLC6A4MEN1
SCHEMBL30913604 0.77 MAPT (0.59) GPR84FFAR1SLC6A2SLC6A4MEN1
SCHEMBL369893 0.77 KMT2A (0.64) GPR84FFAR1CYP2D6SLC6A2SLC6A4
SCHEMBL7001304 0.76 GPR84 (0.81) GPR84FFAR1CYP2D6SLC6A2SLC6A4

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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 GPR84 1048/4885FFAR1 3089/4885CYP2D6 2254/4885

“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.