SCHEMBL17548907

SCHEMBL17548907

CC(N)CC1CCC(CC(C)N)O1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL19395993 0.93 PIK3CD (0.33) PIK3CDALDH1A1
SCHEMBL17548994 0.87 SLC6A4 (0.43)
SCHEMBL19396022 0.87 SLC6A2 (0.30)
SCHEMBL25443759 0.78 PIK3CD (0.39) PIK3CD
SCHEMBL28397337 0.76
SCHEMBL19744382 0.75
Hydrochloric Acid SCHEMBL30673767 0.74
SCHEMBL8520175 0.73 CYP2A6 (0.32)
SCHEMBL4452843 0.72
SCHEMBL20525449 0.70 ANPEP (0.36)

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-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof MICROMIDAS, INC. (US) 2019-07-30 US disclosed
US-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 US disclosed
WO-2016033348-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2016-03-03 WO 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 (2 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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO PIK3CD 2179/4885ALDH1A1 733/4885
US-10364210-B2 Diamine compounds, dinitro compounds and other compounds, and methods of producing thereof and uses related thereof DDC, DDT, DAO PIK3CD 2179/4885ALDH1A1 733/4885

“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.