SCHEMBL16227019

SCHEMBL16227019

c1ccc(CCN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.82
MEN1 O00255 3/20 0.82
RAB9A P51151 1/20 0.82
ALDH1A1 P00352 1/20 0.60
OPRM1 P35372 6/20 0.59
ACHE P22303 1/20 0.56
CCR3 P51677 1/20 0.55

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
SCHEMBL5270225 0.92 KMT2A (0.70) KMT2AMEN1RAB9AOPRM1ACHE
SCHEMBL16225933 0.92 KMT2A (0.83) KMT2AMEN1RAB9AOPRM1ACHE
SCHEMBL16757213 0.90 KMT2A (1.00) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16757436 0.88 KMT2A (0.82) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16757422 0.88 KMT2A (0.73) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16757278 0.88 KMT2A (0.85) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16757237 0.87 KMT2A (0.75) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16757194 0.85 KMT2A (0.72) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16757276 0.83 KMT2A (0.67) KMT2AMEN1RAB9AALDH1A1OPRM1
SCHEMBL16769445 0.83 KMT2A (0.67) KMT2AMEN1RAB9AALDH1A1OPRM1

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-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
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 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 (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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 KMT2A 2536/4885MEN1 4777/4885RAB9A 2017/4885
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.