SCHEMBL16757355

SCHEMBL16757355

COc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
RAB9A P51151 1/20 0.63
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
SIGMAR1 Q99720 2/20 0.59
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
OPRM1 P35372 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52

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
SCHEMBL16757422 0.89 KMT2A (0.73) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757155 0.89 KMT2A (0.68) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757379 0.87 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757144 0.85 KMT2A (0.69) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16769442 0.85 KMT2A (0.65) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757360 0.85 KMT2A (0.91) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757078 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757070 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757211 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL16757075 0.84 MEN1 (0.60) KMT2AMEN1ALDH1A1KDM4ENPSR1

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 8 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
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
EP-3074402-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2016-10-05 EP disclosed
EP-3074001-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS AND CANCER The U.S.A. As Represented By The Secretary, Department Of Health And Human Services (US) 2016-10-05 EP 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
WO-2015080988-A1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2015-06-04 WO 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 3157/4885ALDH1A1 954/4885

“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.