SCHEMBL7126924

SCHEMBL7126924

CCCCN1CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.65
DRD2 P14416 4/20 0.65
KCNH2 Q12809 2/20 0.62
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
CYP2D6 P10635 1/20 0.57
CHRNA7 P36544 1/20 0.54
DRD3 P35462 3/20 0.53
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
HRH1 P35367 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL7127468 0.90 DRD2 (0.80) SIGMAR1DRD2KCNH2KDM4EGAA
SCHEMBL155128 0.90 SIGMAR1 (0.79) SIGMAR1DRD2KCNH2KDM4EGAA
SCHEMBL7594226 0.85 KCNH2 (0.79) SIGMAR1DRD2KCNH2KDM4EGAA
SCHEMBL27695348 0.83 KCNH2 (0.83) SIGMAR1DRD2KCNH2KDM4EGAA
SCHEMBL15920946 0.83 KCNH2 (0.83) SIGMAR1DRD2KCNH2KDM4EGAA
SCHEMBL12319455 0.83 CHRNA7 (0.79) SIGMAR1DRD2KDM4EGAACHRNA7
SCHEMBL8223307 0.80 KDM4E (0.62) SIGMAR1DRD2KDM4EGAADRD3
SCHEMBL29258877 0.80 KDM4E (0.69) SIGMAR1DRD2KCNH2KDM4EGAA
SCHEMBL10724890 0.80 GAA (0.62) SIGMAR1DRD2KCNH2KDM4EGAA
SCHEMBL27822324 0.80 SIGMAR1 (0.64) SIGMAR1DRD2KCNH2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139394-A1 Dibenzodiazepine derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-24 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-20030139394-A1 Dibenzodiazepine derivatives, their preparation and use CYP1B1, DRD1, CYP1A1 SIGMAR1 194/4885DRD2 10/4885KCNH2 1055/4885

“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.