SCHEMBL16769462

SCHEMBL16769462

CCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.62
KCNH2 Q12809 5/20 0.58
CHRM2 P08172 4/20 0.58
ADRA2A P08913 4/20 0.58
ADRA1A P35348 4/20 0.58
DRD3 P35462 4/20 0.58
CHRM1 P11229 3/20 0.58
DRD1 P21728 3/20 0.58
SLC6A2 P23975 3/20 0.58
SLC6A4 P31645 3/20 0.58
SLC6A3 Q01959 3/20 0.58
HTR1A P08908 2/20 0.58
TBXA2R P21731 2/20 0.58
BCL2 P10415 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
CYP2D6 P10635 5/20 0.57
CYP2C19 P33261 2/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP19A1 P11511 1/20 0.56

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
SCHEMBL16769449 0.94 KCNH2 (0.69) SLC6A9KCNH2CHRM2ADRA2AADRA1A
SCHEMBL13856459 0.94 KCNH2 (0.69) SLC6A9KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16769328 0.94 KCNH2 (0.69) SLC6A9KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16757314 0.92 SLC6A9 (0.55) SLC6A9KCNH2CHRM2ADRA2AADRA1A
SCHEMBL16769330 0.82 DRD3 (0.72) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL16769451 0.82 DRD3 (0.72) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL13302837 0.82 DRD3 (0.72) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL13911384 0.82 ACHE (0.68) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL7289153 0.82 SLC6A9 (0.62) SLC6A9KCNH2CHRM2ADRA2AADRA1A
SCHEMBL13784937 0.81 OPRM1 (0.63) KCNH2CHRM2ADRA2AADRA1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 US disclosed
US-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 US disclosed
US-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2017-01-05 US disclosed
WO-2015080949-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-04 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-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER NCOR1, RRP15, NCOA1 SLC6A9 4836/4885KCNH2 1569/4885CHRM2 1157/4885
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR SLC6A9 2442/4885KCNH2 1853/4885CHRM2 3400/4885

“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.