SCHEMBL19984433

SCHEMBL19984433

BC(B)(NC(B)(B)C1(F)C(B)(B)CN(C(=O)c2ccc(F)c(Cl)c2)C(B)(B)C1(B)B)c1ncc(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.44
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL19984253 0.92 HTR1A (0.36) HTR1ADRD2DRD4DRD3
SCHEMBL19984125 0.91 HTR1A (0.43) HTR1ADRD2DRD4DRD3
SCHEMBL19984430 0.88 HTR1A (0.50) HTR1ADRD2DRD4DRD3
SCHEMBL19984209 0.87 HTR1A (0.45) HTR1ADRD2DRD4DRD3
SCHEMBL19984293 0.85 HTR1A (0.47) HTR1ADRD2DRD4DRD3
SCHEMBL19984424 0.85 HTR1A (0.44) HTR1ADRD2DRD4DRD3
SCHEMBL19984225 0.84 HTR1A (0.35) HTR1ADRD2DRD4DRD3
SCHEMBL19984098 0.80 HTR1A (0.48) HTR1ADRD2DRD4DRD3
SCHEMBL19984094 0.80 HTR1A (0.53) HTR1ADRD2DRD4DRD3
SCHEMBL19984106 0.80 HTR1A (0.44) HTR1ADRD2DRD4DRD3

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 3/4885DRD2 24/4885DRD4 41/4885
US-20180079742-A1 Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885DRD2 24/4885DRD4 41/4885
US-10626105-B2 Deuterium-substituted pyridin- and pyrimidin-2-yl-methylamine compounds HTR2C, HTR5A, HTR1A HTR1A 3/4885DRD2 24/4885DRD4 41/4885

“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.