SCHEMBL21759486

SCHEMBL21759486

CCCCCCCC(CCCCCCC)N1CC[C@@H](F)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.37
GNAO1 P09471 3/20 0.37
GNAI1 P63096 3/20 0.37
FDPS P14324 3/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 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
SCHEMBL20781655 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1FDPSMAPT
SCHEMBL23733437 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1FDPSMAPT
SCHEMBL23733446 0.91 GNAI3 (0.34) GNAI3GNAO1GNAI1MAPT
SCHEMBL23733479 0.91 GNAI3 (0.34) GNAI3GNAO1GNAI1MAPT
SCHEMBL23733462 0.91 GNAI3 (0.38) GNAI3GNAO1GNAI1FDPSMAPT
SCHEMBL22962004 0.84 GNAI3 (0.47) GNAI3GNAO1GNAI1FDPS
SCHEMBL22962144 0.84 GNAI3 (0.47) GNAI3GNAO1GNAI1FDPS
SCHEMBL22962251 0.84 GNAI3 (0.47) GNAI3GNAO1GNAI1FDPS
SCHEMBL22962335 0.84 GNAI3 (0.47) GNAI3GNAO1GNAI1FDPS
SCHEMBL22962072 0.84 GNAI3 (0.47) GNAI3GNAO1GNAI1FDPS

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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 US disclosed
US-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use TLR7, TLR9, TLR4 GNAI3 318/4885GNAO1 62/4885GNAI1 167/4885
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 GNAI3 1689/4885GNAO1 2690/4885GNAI1 1611/4885
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use TLR7, TLR9, NOD1 GNAI3 209/4885GNAO1 83/4885GNAI1 124/4885

“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.