SCHEMBL19035558

SCHEMBL19035558

c1cnc(N2CCN3CCCCC3C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
DRD2 P14416 8/20 0.51
DRD4 P21917 8/20 0.51
HTR1A P08908 1/20 0.51
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
ACHE P22303 2/20 0.42
HDAC1 Q13547 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL19035631 0.95 DRD2 (0.52) HRH3DRD2DRD4HTR1ADPP4
SCHEMBL81439 0.83 HRH3 (0.46) HRH3DRD2DRD4HTR1AHDAC1
SCHEMBL19035590 0.79 DPP4 (0.50) DRD2DRD4HTR1ADPP4DPP8
SCHEMBL19035629 0.78 LMNA (0.52) DRD2DRD4HTR1ADPP4DPP8
SCHEMBL81674 0.78 OGG1 (0.47) HRH3DRD2DRD4HTR1A
SCHEMBL19035556 0.75 HRH3 (0.51) HRH3DPP4DPP8DPP7HDAC1
SCHEMBL12663049 0.75 L3MBTL3 (0.64) HRH3DRD2DRD4
SCHEMBL64843 0.74 DRD4 (0.52) HRH3DRD2DRD4HTR1AHDAC1
SCHEMBL5745416 0.74 DRD4 (0.65) DRD2DRD4HTR1A
SCHEMBL9698828 0.74 DRD4 (0.65) DRD2DRD4HTR1A

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-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 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 (2 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 HRH3 3986/4885DRD2 3950/4885DRD4 3701/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 HRH3 3902/4885DRD2 4450/4885DRD4 4496/4885

“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.