SCHEMBL4980374

SCHEMBL4980374

O=[C]C(c1ccccn1)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 3/20 0.43
KCNA5 P22460 5/20 0.42
KCNE1 P15382 2/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.39
HIF1A Q16665 2/20 0.39
POLB P06746 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL8911615 0.88 SLC6A2 (0.57) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL833118 0.78 CYP1A2 (0.46) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL11516132 0.78 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL5429300 0.77 SLC6A2 (0.48) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL9185638 0.75 SLC6A3 (0.56) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL949982 0.74 KCNA5 (0.46) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL1998300 0.74 TSHR (0.49) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL9818709 0.72 GAA (0.41) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL16933787 0.72 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4NPSR1KDM4E
SCHEMBL7126294 0.72 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4NPSR1KDM4E

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-20080027060-A1 DIPEPTIDE NITRILES ALTMANN EVA 2008-01-31 US disclosed
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
WO-2007081530-A2 ENDOLUMINAL MEDICAL DEVICE FOR LOCAL DELIVERY OF CATHEPSIN INHIBITORS MED INSTITUTE, INC. (US) 2007-07-19 WO disclosed
US-20060235220-A1 Dipeptide nitriles MISSBACH MARTIN 2006-10-19 US disclosed
US-20040110806-A1 Dipeptide derivatives ALTMANN EVA (CH) 2004-06-10 US disclosed
US-20040029814-A1 Dipeptide nitriles ALTMANN EVA (CH) 2004-02-12 US disclosed
US-6353017-B1 INHIBITORS OF CATHESPINS USING DIPEPTIDE NITRILES AS ANTIINFLAMMATORY AGENTS AND ANTIARTHRITIC AGENTS NOVARTIS AG (CH) 2002-03-05 US disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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 (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-20040110806-A1 Dipeptide derivatives CTSL, CTSZ, CTSS SLC6A3 2421/4885SLC6A2 3546/4885SLC6A4 1700/4885
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating CTSS, CTSD, CTSV SLC6A3 3081/4885SLC6A2 2354/4885SLC6A4 3778/4885
US-20040029814-A1 Dipeptide nitriles NOS1, CTSL, CTSS SLC6A3 1998/4885SLC6A2 2623/4885SLC6A4 1291/4885
US-20060235220-A1 Dipeptide nitriles CTSL, CTSS, CTSB SLC6A3 1942/4885SLC6A2 2485/4885SLC6A4 1140/4885
US-20080027060-A1 DIPEPTIDE NITRILES CTSL, CTSS, CTSB SLC6A3 1942/4885SLC6A2 2485/4885SLC6A4 1140/4885

“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.