SCHEMBL19035671

SCHEMBL19035671

CCN1CCN(c2ncccn2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.46
SLC6A7 Q99884 3/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
DRD4 P21917 3/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MDM2 Q00987 1/20 0.40
MAPT P10636 1/20 0.40
GSK3B P49841 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM4 P08173 1/20 0.38
NPY1R P25929 1/20 0.38
CHRM1 P11229 1/20 0.37

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
SCHEMBL82864 0.84 DHFR (0.39) GRM1ADORA2AADORA1KDM4EGSK3B
SCHEMBL17477187 0.78 DRD4 (0.38) GRM1ADORA2AADORA1DRD4DRD2
SCHEMBL17538367 0.78 ADRB1 (0.51) SLC6A7KDM4E
SCHEMBL17538377 0.78 ADRB1 (0.51) SLC6A7KDM4E
SCHEMBL20159117 0.77 GRM1 (0.49) GRM1SLC6A7LMNAKDM4EMDM2
SCHEMBL19035624 0.77 GRM1 (0.49) GRM1SLC6A7LMNAKDM4EMDM2
SCHEMBL28780930 0.76 PIK3CD (0.40) GRM1SLC6A7CHRM1
SCHEMBL28780933 0.76 CHRM1 (0.41) GRM1KDM4ECHRM4CHRM1
SCHEMBL64037 0.76 OGA (0.43) DRD4DRD2CHRM4
SCHEMBL15025099 0.76 GRM1 (0.48) GRM1SLC6A7LMNAKDM4EMAPT

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 GRM1 3550/4885SLC6A7 485/4885ADORA2A 4328/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 GRM1 2839/4885SLC6A7 950/4885ADORA2A 4177/4885

“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.