SCHEMBL2454645

SCHEMBL2454645

CCOC(=O)c1cccnc1N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.57
HSD11B1 P28845 1/20 0.51
ALDH1A1 P00352 1/20 0.49
CHIA Q9BZP6 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL7238361 0.95 OPRK1 (0.56) OPRK1HSD11B1ALDH1A1CHIAADORA3
SCHEMBL6965268 0.85 OPRK1 (0.56) OPRK1LMNAMAPTKMT2A
SCHEMBL18394828 0.85 USP2 (0.58) OPRK1HSD11B1ALDH1A1LMNAMAPT
SCHEMBL3532211 0.84 OPRK1 (0.60) OPRK1HSD11B1ALDH1A1CHIAMAPT
SCHEMBL13116788 0.84 CHIA (0.44) OPRK1ALDH1A1CHIAMAPK13MAPK12
SCHEMBL7242387 0.84 MAPT (0.57) OPRK1HSD11B1ALDH1A1CHIALMNA
SCHEMBL21384397 0.84 OPRK1 (0.56) OPRK1HSD11B1ALDH1A1CHIALMNA
SCHEMBL12633125 0.84 OPRK1 (0.56) OPRK1HSD11B1CHIALMNAMAPT
SCHEMBL2222519 0.82 MAPT (0.67) OPRK1ALDH1A1CHIALMNAMAPT
SCHEMBL15221215 0.82 CHIA (0.42) OPRK1ALDH1A1CHIAMAPK13MAPK12

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 US disclosed
EP-2364303-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS Orion Corporation (FI) 2011-09-14 EP disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 WO disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-6133268-A 1,4-disubstituted piperazines NOVO NORDISK A/S (DK) 2000-10-17 US disclosed
US-6040302-A ANTIINFLAMMATORY AGENTS TREATING RHEUMATOID ARTHRITIS, MIGRAINE OR ITCHING, INSULIN RESISTANCE IN NON-INSULIN-DEPENDENT DIABETES MELLITUS AND AGEING-ASSOCIATED OBESITY NOVO NORDISK A/S (DK) 2000-03-21 US disclosed
US-6004961-A ANTIINFLAMMATORY AGENTS, ANALGESICS; NON-INSULIN-DEPENDENT DIABETES; AGE-RELATED OBESITY; DIBENZO(D,G)(1,3,6)DIOXAZOCINE DERIVATIVES NOVO NORDISK A/S (DK) 1999-12-21 US disclosed
CN-1234799-A 1,4-disubstituted piperazines NOVO NORDISK AS (DK) 1999-11-10 CN disclosed
CN-1234797-A N-substituted azaheterocyclic compound NOVO NORDISK AS (DK) 1999-11-10 CN disclosed
EP-0934306-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
EP-0934312-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
US-5916889-A ANTIDIABETIC AGENT; DIETETICS NOVO NORDISK A/S (DK) 1999-06-29 US disclosed
WO-1998015546-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed
WO-1998015548-A1 1,4-DISUBSTITUTED PIPERAZINES NOVO NORDISK A/S (DK) 1998-04-16 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS OPRK1 186/4885HSD11B1 4825/4885ALDH1A1 1424/4885
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C OPRK1 98/4885HSD11B1 3247/4885ALDH1A1 819/4885

“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.