SCHEMBL19984396

SCHEMBL19984396

BC(O)(C#N)C1(F)C(B)(B)C(B)(B)N(C(=O)c2ccc(F)c(Cl)c2)C(B)(B)C1(B)B

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.34
ADRA1A P35348 1/20 0.33
RAPGEF3 O95398 2/20 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
SCHEMBL19984392 0.80 HTR1A (0.34) HTR1AADRA1ARAPGEF3
SCHEMBL19984390 0.77 HTR1A (0.32) HTR1AADRA1ARAPGEF3
SCHEMBL19984130 0.74 HTR1A (0.37) HTR1AADRA1A
SCHEMBL19984209 0.74 HTR1A (0.45) HTR1A
SCHEMBL19984436 0.74 HTR1A (0.37) HTR1A
SCHEMBL19984301 0.72 HTR1A (0.54) HTR1A
SCHEMBL19984205 0.72 HTR1A (0.45) HTR1A
SCHEMBL19984419 0.72 HTR1A (0.44) HTR1A
SCHEMBL19984400 0.72 HTR1A (0.35) HTR1A
SCHEMBL19984412 0.71 HTR1A (0.55) HTR1A

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-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2020-09-17 US disclosed
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds AUSPEX PHARMACEUTICALS, INC. (US) 2020-04-21 US disclosed
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds AUSPEX PHARMACEUTICALS, INC. 2018-03-22 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-20200290992-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885ADRA1A 82/4885RAPGEF3 2319/4885
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885ADRA1A 82/4885RAPGEF3 2319/4885
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885ADRA1A 82/4885RAPGEF3 2319/4885

“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.