SCHEMBL26078439

SCHEMBL26078439

CCCCCCCC(CC)c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.40
FAAH O00519 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.33
NAAA Q02083 1/20 0.33
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC2A1 P11166 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22308557 1.00 NR1I2 (0.40) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL18947485 0.93 CYP2D6 (0.41) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL21362944 0.93 CYP2D6 (0.41) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL19890344 0.93 CYP2D6 (0.41) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL26774452 0.93 CYP2D6 (0.41) NR1I2FAAHCYP2D6CYP3A4NPC1
SCHEMBL20052787 0.93 CYP2D6 (0.41) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL18638711 0.92 FAAH (0.40) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL19225133 0.92 FAAH (0.40) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL21362869 0.92 CYP2D6 (0.41) NR1I2FAAHCYP2D6CYP3A4NAAA
SCHEMBL25771267 0.90 CYP2D6 (0.41) NR1I2FAAHCYP2D6CYP3A4NAAA

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-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE CURASEN THERAPEUTICS, INC. 2023-10-05 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-20230312524-A1 ALPHA1A-ADRENERGIC RECEPTOR AGONISTS AND METHODS OF USE ADRA1A, ADRB1, ADRA1D NR1I2 253/4885FAAH 564/4885CYP2D6 336/4885

“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.