SCHEMBL16769332

SCHEMBL16769332

CCN1CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
IGF1R P08069 2/20 0.68
OPRD1 P41143 6/20 0.54
OPRM1 P35372 5/20 0.54
OPRK1 P41145 3/20 0.54
OPRL1 P41146 2/20 0.54
CHRM2 P08172 3/20 0.53
ADRA2A P08913 3/20 0.53
CHRM1 P11229 3/20 0.53
DRD1 P21728 3/20 0.53
DRD3 P35462 3/20 0.53
SLC6A3 Q01959 3/20 0.53
KCNH2 Q12809 3/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
CYP2D6 P10635 2/20 0.53
CHRM3 P20309 2/20 0.53
ADRA1D P25100 2/20 0.53

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
SCHEMBL13784937 0.90 OPRM1 (0.63) MEN1KMT2AOPRD1OPRM1OPRK1
SCHEMBL16757314 0.86 SLC6A9 (0.55) MEN1KMT2AIGF1ROPRM1OPRK1
SCHEMBL13856459 0.84 KCNH2 (0.69) MEN1KMT2AOPRM1OPRK1CHRM2
SCHEMBL16769328 0.84 KCNH2 (0.69) MEN1KMT2AOPRM1OPRK1CHRM2
SCHEMBL16769449 0.84 KCNH2 (0.69) MEN1KMT2AOPRM1OPRK1CHRM2
SCHEMBL4145335 0.81 SLC6A9 (0.68) MEN1KMT2AIGF1ROPRD1OPRM1
SCHEMBL4139140 0.81 SLC6A9 (0.68) MEN1KMT2AIGF1ROPRD1OPRM1
SCHEMBL4139144 0.81 SLC6A9 (0.68) MEN1KMT2AIGF1ROPRD1OPRM1
Hydrochloric Acid SCHEMBL4145669 0.80 SLC6A9 (0.66) MEN1KMT2AIGF1ROPRD1OPRM1
Hydrochloric Acid SCHEMBL4145673 0.80 SLC6A9 (0.66) MEN1KMT2AIGF1ROPRD1OPRM1

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-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 (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-20170001988-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER NCOR1, RRP15, NCOA1 MEN1 3157/4885KMT2A 1974/4885IGF1R 1040/4885

“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.