SCHEMBL21362869

SCHEMBL21362869

CCCCCC(CCCCC)c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.41
FAAH O00519 1/20 0.38
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1I2 O75469 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BDKRB2 P30411 1/20 0.33
HSP90AA1 P07900 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL25771267 0.98 CYP2D6 (0.41) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL19890344 0.98 CYP2D6 (0.41) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL21362944 0.98 CYP2D6 (0.41) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL18947485 0.98 CYP2D6 (0.41) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL20052787 0.98 CYP2D6 (0.41) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL18638711 0.97 FAAH (0.40) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL19225133 0.97 FAAH (0.40) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL23709521 0.95 CYP2D6 (0.42) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL22308557 0.92 NR1I2 (0.40) CYP2D6FAAHCYP3A4NPC1LMNA
SCHEMBL26078439 0.92 NR1I2 (0.40) CYP2D6FAAHCYP3A4NPC1LMNA

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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP CYP2D6 2700/4885FAAH 1655/4885CYP3A4 3832/4885

“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.