SCHEMBL5565016

SCHEMBL5565016

CC(N)c1ccccc1.C[C@@H](N)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.58
F2 P00734 1/20 0.58
ADRA2A P08913 1/20 0.56
ADRA2C P18825 1/20 0.56
LMNA P02545 1/20 0.56
HIF1A Q16665 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ADRB2 P07550 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TAAR1 Q96RJ0 5/20 0.52
AOC3 Q16853 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL5559781 1.00 DPP4 (0.58) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL830 1.00
SCHEMBL42904 1.00
SCHEMBL4916236 1.00 DPP4 (0.58) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL42393 1.00
SCHEMBL24932018 1.00 DPP4 (0.58) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL29380238 1.00
Ammonia Solution, Strong SCHEMBL3867318 0.97 DPP4 (0.55) DPP4F2ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL241514 0.97 ALDH1A1 (0.58) DPP4F2ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL4602345 0.97 ALDH1A1 (0.58) DPP4F2ADRA2AADRA2CLMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186710-B2 Phthalazinones ALTANA PHARMA AG (DE) 2007-03-06 US disclosed
US-20060166995-A1 Piperidine-n-oxide-derivatives ALTANA PHARMA AG (DE) 2006-07-27 US disclosed
US-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors ALTANA PHARMA AG (DE) 2006-05-04 US disclosed
US-7022696-B2 Piperazino-derivatives and their use as PDE4 inhibitor ALTANA PHARMA AG (DE) 2006-04-04 US disclosed
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
EP-1556049-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA Pharma AG (DE) 2005-07-27 EP disclosed
EP-1542987-A1 PIPERIDINE-N-OXIDE-DERIVATIVES ALTANA Pharma AG (DE) 2005-06-22 EP disclosed
US-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor ATLANTA PHARMA AG (DE) 2004-07-08 US disclosed
US-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders ALTANA PHARMA AG (DE) 2004-07-01 US disclosed
WO-2004017974-A1 PIPERIDINE-PYRIDAZONES AND PHTHALAZONES AS PDE4 INHIBITORS ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed
WO-2004018450-A1 PIPERIDINE-N-OXIDE-DERIVATIVES ALTANA PHARMA AG (DE) 2004-03-04 WO disclosed
EP-1385838-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA Pharma AG (DE) 2004-02-04 EP disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 US disclosed
WO-2002085885-A1 PIPERAZINO-DERIVATIVES AND THEIR USE AS PDE4 INHIBITOR ALTANA PHARMA AG (DE) 2002-10-31 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 (5 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-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders PDE4A, PDE4B, PDE7B DPP4 82/4885F2 4668/4885ADRA2A 751/4885
US-20060166995-A1 Piperidine-n-oxide-derivatives PDE4A, PDE3A, PDE2A DPP4 44/4885F2 4488/4885ADRA2A 140/4885
US-20060094710-A1 Piperidine-pyridazones and phthalazones as pde4 inhibitors PDE4A, PDE4B, PDE3A DPP4 14/4885F2 4542/4885ADRA2A 712/4885
US-20040132721-A1 Piperazino-derivatives and their use as pde4 inhibitor PDE4A, PDE4B, PDE3A DPP4 27/4885F2 3014/4885ADRA2A 129/4885
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D DPP4 782/4885F2 4767/4885ADRA2A 8/4885

“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.