SCHEMBL2423748

SCHEMBL2423748

O=C(NCC1CCCNC1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CHEK1 O14757 2/20 0.55
NAMPT P43490 1/20 0.55
PBK Q96KB5 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
ACP1 P24666 1/20 0.50
SMYD3 Q9H7B4 2/20 0.49
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL8719751 1.00 KMT2A (0.60) KMT2ACHEK1NAMPTPBKSMN1; SMN2
SCHEMBL8719970 1.00 KMT2A (0.60) KMT2ACHEK1NAMPTPBKSMN1; SMN2
SCHEMBL5094284 0.91 NAMPT (0.63) KMT2ANAMPTSMN1; SMN2HPGDCTSL
SCHEMBL13325381 0.91 NAMPT (0.63) KMT2ANAMPTSMN1; SMN2HPGDCTSL
SCHEMBL13325386 0.91 NAMPT (0.63) KMT2ANAMPTSMN1; SMN2HPGDCTSL
Mandelic Acid SCHEMBL8716945 0.89 KMT2A (0.50) KMT2ACHEK1NAMPTPBKSMN1; SMN2
Mandelic Acid SCHEMBL7303904 0.89 KMT2A (0.50) KMT2ACHEK1NAMPTPBKSMN1; SMN2
Mandelic Acid SCHEMBL7297870 0.89 KMT2A (0.50) KMT2ACHEK1NAMPTPBKSMN1; SMN2
Mandelic Acid SCHEMBL7303720 0.89 KMT2A (0.50) KMT2ACHEK1NAMPTPBKSMN1; SMN2
Mandelic Acid SCHEMBL8716949 0.89 KMT2A (0.50) KMT2ACHEK1NAMPTPBKSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011117254-A1 PIPERIDINE AMIDES AS MODULATORS OF THE GHRELIN RECEPTOR PROSIDION LIMITED (GB) 2011-09-29 WO disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 EP disclosed
EP-1399160-A4 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO INC (US) 2004-08-25 EP disclosed
EP-1399160-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES Merck & Co., Inc. (US) 2004-03-24 EP disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed
EP-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
CN-1076690-A SULFONAMIDOCARBOXAMIDES HOFFMANN LA ROCHE (CH) 1993-09-29 CN disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 KMT2A 2156/4885CHEK1 4773/4885NAMPT 873/4885

“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.