SCHEMBL22115254

SCHEMBL22115254

CCCCCCC(C)C1CNC[C@@H](C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
OPRM1 P35372 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GBA1 P04062 1/20 0.31
LMNA P02545 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
SCHEMBL19290268 0.83 OPRM1 (0.38) DNM1OPRM1SPHK1LMNA
SCHEMBL22327703 0.77 GBA1 (0.32) GBA1
SCHEMBL21226122 0.77 GNAI3 (0.39) DNM1
SCHEMBL23717596 0.77 GNAI3 (0.39) DNM1
SCHEMBL24822691 0.77 GNAI3 (0.39) DNM1
Iodide SCHEMBL15008388 0.76 GNAI3 (0.38) DNM1
Iodide SCHEMBL15008245 0.76 GNAI3 (0.38) DNM1
Iodide SCHEMBL15008673 0.76 GNAI3 (0.38) DNM1
Iodide SCHEMBL15008368 0.76 GNAI3 (0.38) DNM1
Iodide SCHEMBL15008980 0.76 GNAI3 (0.38) DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403495-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2021-12-30 US disclosed
US-20200190126-A1 Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2020-06-18 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 (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-20210403495-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK1, CDK17 DNM1 2816/4885OPRM1 4366/4885SPHK1 1448/4885
US-20200190126-A1 Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) CDK7, CDK1, CDK17 DNM1 2816/4885OPRM1 4366/4885SPHK1 1448/4885

“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.