SCHEMBL20072427

SCHEMBL20072427

CCCCCCC(C)c1ccncn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
CYP2D6 P10635 2/20 0.40
GPR84 Q9NQS5 2/20 0.35
CYP3A4 P08684 1/20 0.34
ADA P00813 2/20 0.33
NAAA Q02083 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC2A1 P11166 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
SCHEMBL18660991 0.86 CYP2D6 (0.37) FAAHCYP2D6CYP3A4LMNA
SCHEMBL20052787 0.85 CYP2D6 (0.41) FAAHCYP2D6GPR84CYP3A4NAAA
SCHEMBL21362944 0.85 CYP2D6 (0.41) FAAHCYP2D6GPR84CYP3A4NAAA
SCHEMBL19890344 0.85 CYP2D6 (0.41) FAAHCYP2D6GPR84CYP3A4NAAA
SCHEMBL18947485 0.85 CYP2D6 (0.41) FAAHCYP2D6GPR84CYP3A4NAAA
SCHEMBL18638711 0.83 FAAH (0.40) FAAHCYP2D6GPR84CYP3A4NAAA
SCHEMBL19225133 0.83 FAAH (0.40) FAAHCYP2D6GPR84CYP3A4NAAA
SCHEMBL21362869 0.83 CYP2D6 (0.41) FAAHCYP2D6CYP3A4NAAANFKB1
SCHEMBL22308557 0.82 NR1I2 (0.40) FAAHCYP2D6GPR84CYP3A4NAAA
SCHEMBL26078439 0.82 NR1I2 (0.40) FAAHCYP2D6GPR84CYP3A4NAAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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 (3 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 FAAH 140/4885CYP2D6 429/4885GPR84 2542/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA FAAH 4405/4885CYP2D6 3893/4885GPR84 3639/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 FAAH 159/4885CYP2D6 564/4885GPR84 2165/4885

“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.