SCHEMBL19035644

SCHEMBL19035644

C=CCN1CCCN(c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.51
DRD4 P21917 1/20 0.50
KCNH2 Q12809 1/20 0.50
DRD2 P14416 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
MAPT P10636 2/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 1/20 0.46
OPRD1 P41143 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL175992 0.93 CHRNA7 (0.58) CHRNA7DRD4KCNH2DRD2SIGMAR1
SCHEMBL82888 0.84 MAPT (0.47) DRD4SIGMAR1MAPTKDM4E
SCHEMBL7423220 0.83 OPRD1 (0.60) CHRNA7DRD4KCNH2DRD2SIGMAR1
SCHEMBL4553991 0.82 OPRD1 (0.54) DRD4DRD2SIGMAR1MAPTHTR1A
SCHEMBL576673 0.78 LMNA (0.58) CHRNA7DRD4KCNH2DRD2SIGMAR1
SCHEMBL577708 0.78 LMNA (0.58) CHRNA7DRD4KCNH2DRD2SIGMAR1
SCHEMBL14500221 0.78 LMNA (0.58) CHRNA7DRD4KCNH2DRD2SIGMAR1
SCHEMBL15304372 0.77 CHRNA7 (0.85) CHRNA7DRD4KCNH2DRD2SIGMAR1
SCHEMBL24508006 0.77 KDM4E (0.56) CHRNA7DRD4KCNH2DRD2SIGMAR1
SCHEMBL3263264 0.76 MAPT (0.43) CHRNA7DRD4KCNH2DRD2SIGMAR1

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 CHRNA7 4824/4885DRD4 3701/4885KCNH2 2560/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 CHRNA7 4792/4885DRD4 4496/4885KCNH2 3713/4885

“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.