SCHEMBL21362944

SCHEMBL21362944

CCCCCCC(CCCCCC)c1ccncn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
FAAH O00519 1/20 0.40
NR1I2 O75469 1/20 0.36
CYP3A4 P08684 1/20 0.35
NAAA Q02083 1/20 0.34
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC2A1 P11166 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18947485 1.00 CYP2D6 (0.41) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL20052787 1.00 CYP2D6 (0.41) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL19890344 1.00 CYP2D6 (0.41) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL18638711 0.98 FAAH (0.40) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL19225133 0.98 FAAH (0.40) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL21362869 0.98 CYP2D6 (0.41) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL25771267 0.97 CYP2D6 (0.41) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL22308557 0.93 NR1I2 (0.40) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL26078439 0.93 NR1I2 (0.40) CYP2D6FAAHNR1I2CYP3A4NAAA
SCHEMBL23709521 0.93 CYP2D6 (0.42) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
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 (5 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 CYP2D6 15/4885FAAH 843/4885NR1I2 273/4885
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP CYP2D6 2700/4885FAAH 1655/4885NR1I2 4502/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 CYP2D6 4229/4885FAAH 2365/4885NR1I2 3296/4885
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 CYP2D6 4163/4885FAAH 1490/4885NR1I2 3436/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP CYP2D6 2436/4885FAAH 1617/4885NR1I2 4507/4885

“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.