SCHEMBL15047504

SCHEMBL15047504

CCS(=O)(=O)C[C@@H]1CCN(C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 2/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACHE P22303 3/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
KAT8 Q9H7Z6 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
SCHEMBL13270430 0.82
SCHEMBL2743276 0.82
SCHEMBL8230672 0.82
SCHEMBL29252839 0.82 NCF1 (0.39) NCF1CYP1A2CYP2D6SLC6A2GNAI3
SCHEMBL8318641 0.81 NCF1 (0.41) NCF1CYP1A2CYP2D6SLC6A2ALDH1A1
Iodide SCHEMBL28581484 0.80
SCHEMBL20744284 0.79 NCF1 (0.45) NCF1CYP1A2CYP2D6SLC6A2ALDH1A1
SCHEMBL29271261 0.79 INPP5A (0.42) NCF1CYP1A2CYP2D6GNAI3GNAO1
SCHEMBL9699111 0.79 INPP5A (0.42) NCF1CYP1A2CYP2D6GNAI3GNAO1
SCHEMBL27391352 0.78 NCF1 (0.52) NCF1CYP1A2CYP2D6GNAI3GNAO1

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-9187460-B2 Estrogen receptor modulators and uses thereof SERAGON PHARMACEUTICALS, INC. (US) 2015-11-17 US disclosed
US-20140364427-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF SERAGON PHARMACEUTICALS, INC. 2014-12-11 US disclosed
WO-2013090829-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-06-20 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 (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-20140364427-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, ESRRG, GPER1 NCF1 2406/4885CYP1A2 434/4885CYP2D6 869/4885

“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.