SCHEMBL21248895

SCHEMBL21248895

CCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccc(O)cc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.61
DRD2 P14416 13/20 0.59
CHRM1 P11229 6/20 0.59
DRD1 P21728 5/20 0.59
DRD4 P21917 3/20 0.59
DRD3 P35462 3/20 0.59
CYP1A2 P05177 2/20 0.59
CHRM2 P08172 2/20 0.59
CHRM4 P08173 2/20 0.59
CYP3A4 P08684 2/20 0.59
CHRM5 P08912 2/20 0.59
CYP2D6 P10635 2/20 0.59
CHRM3 P20309 2/20 0.59
KCNH2 Q12809 2/20 0.59
HTR3E A5X5Y0 1/20 0.59
MEN1 O00255 1/20 0.59
CACNA1F O60840 1/20 0.59
HTR3B O95264 1/20 0.59
ABCB11 O95342 1/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL142391 0.89 CHRM1 (0.75) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL21258181 0.87 CHRM1 (0.66) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL13389257 0.86 DRD2 (0.79) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL30543472 0.86 DRD2 (0.79) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL21258180 0.81 DRD2 (0.63) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL21258032 0.78 DRD2 (0.57) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL7801315 0.78 DRD2 (0.76) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL21248527 0.78 DRD2 (0.56) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL21248506 0.78 DRD2 (0.56) HRH4DRD2CHRM1DRD1DRD4
SCHEMBL21258175 0.78 DRD2 (0.56) HRH4DRD2CHRM1DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749325-B1 DREADD ACTUATORS US HEALTH (US) 2026-04-08 EP disclosed
US-11739063-B2 DREADD actuators THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-29 US disclosed
US-20200399228-A1 DREADD ACTUATORS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-12-24 US disclosed
EP-3749325-A1 DREADD ACTUATORS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2020-12-16 EP disclosed
WO-2019157083-A1 DREADD ACTUATORS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 WO 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-11739063-B2 DREADD actuators GRK1, GRK3, GRK2 HRH4 392/4885DRD2 373/4885CHRM1 32/4885
US-20200399228-A1 DREADD ACTUATORS GRK1, GRK3, GRK2 HRH4 392/4885DRD2 373/4885CHRM1 32/4885

“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.