SCHEMBL19954367

SCHEMBL19954367

Cc1ncc(Cc2cnc(Cc3ccncn3)nc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL19591007 0.75 CYP11B1 (0.49) CYP11B1CYP11B2LOXL2
SCHEMBL27429817 0.73 CYP11B1 (0.40) FLT1KDRCYP11B1CYP11B2
SCHEMBL19841610 0.70 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL21467096 0.69 KCNH3 (0.35) FLT1KDRLOXL2
SCHEMBL25036501 0.69 HTR2C (0.32)
SCHEMBL21498910 0.68 TSHR (0.35) FLT1KDRCYP11B1CYP11B2
SCHEMBL21710072 0.67 GRM4 (0.33)
SCHEMBL18459205 0.67 L3MBTL1 (0.53)
SCHEMBL533421 0.66 CALM1 (0.44) FLT1KDRCYP11B1CYP11B2
SCHEMBL19414362 0.66 FYN (0.49) CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2023-04-27 US disclosed
US-9914732-B2 Diazabicyclo[4.3.1]decane derivatives for treatment of psychiatric disorders MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSC HAFTEN E.V. (DE) 2018-03-13 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 (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-20230126391-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO[4.3.1] DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP8, FKBP2, FKBP1A FLT1 4399/4885KDR 4358/4885CYP11B1 2102/4885

“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.