SCHEMBL21725542

SCHEMBL21725542

CCCC(CC)C1CCN(C)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
SLC6A3 Q01959 1/20 0.36
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 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
SCHEMBL13772804 0.91 NCF1 (0.37) NCF1SLC6A3GNAI3GNAO1GNAI1
SCHEMBL25645331 0.84 GNAO1 (0.43) GNAI3GNAO1GNAI1
SCHEMBL13772759 0.82 NCF1 (0.39) NCF1SLC6A3GNAI3GNAO1GNAI1
SCHEMBL21350187 0.82 SHBG (0.34) GNAI3GNAO1GNAI1
SCHEMBL17327895 0.81 CACNA2D1 (0.35) NCF1SLC6A3
SCHEMBL23717806 0.80 GNAO1 (0.43) GNAI3GNAO1GNAI1
SCHEMBL23717673 0.80 GNAO1 (0.43) GNAI3GNAO1GNAI1
SCHEMBL19321573 0.79 GNAI3 (0.42) NCF1SLC6A3GNAI3GNAO1GNAI1
SCHEMBL22803237 0.79
SCHEMBL25557516 0.79

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-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE SCHRÖDINGER, INC. 2023-11-02 US disclosed
US-20230293532-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-09-21 US disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 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 (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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R NCF1 3036/4885SLC6A3 524/4885GNAI3 656/4885
US-20230348424-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE APC, RCC2, CDC37 NCF1 849/4885SLC6A3 4615/4885GNAI3 206/4885
US-20230293532-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, LYN, SYK NCF1 543/4885SLC6A3 4599/4885GNAI3 499/4885

“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.