SCHEMBL16769445

SCHEMBL16769445

FC(F)(F)CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
RAB9A P51151 1/20 0.67
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CHIT1 Q13231 1/20 0.46
CHIA Q9BZP6 1/20 0.46
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM1A O60341 1/20 0.44
OPRM1 P35372 7/20 0.43
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42

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
SCHEMBL16757436 0.83 KMT2A (0.82) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL16227019 0.83 KMT2A (0.82) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16757422 0.83 KMT2A (0.73) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL16757295 0.83 KMT2A (0.61) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL25090739 0.82 KMT2A (0.47) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL24424631 0.82 KMT2A (0.47) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL16757194 0.80 KMT2A (0.72) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL16757213 0.80 KMT2A (1.00) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL16757078 0.80 KMT2A (0.64) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL16757237 0.79 KMT2A (0.75) KMT2AMEN1RAB9AALDH1A1KDM4E

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
CN-106029060-A piperidine and piperidine derivatives and their use in the treatment of viral infections and cancer 美国卫生和人力服务部 2016-10-12 CN 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 KMT2A 1974/4885MEN1 3157/4885RAB9A 3639/4885

“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.