SCHEMBL2033257

SCHEMBL2033257

NCC1CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HTR6 P50406 6/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
KDM1A O60341 2/20 0.44
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4C Q9H3R0 3/20 0.42
MTNR1A P48039 1/20 0.41

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
SCHEMBL10331877 1.00 ALDH1A1 (0.50) ALDH1A1HTR6CYP4F2CYP4A11KDM1A
SCHEMBL7355324 0.83 MTNR1A (0.48) HTR6MTNR1A
SCHEMBL2027583 0.80 ALDH1A1 (0.54) ALDH1A1CYP4F2CYP4A11KDM1A
SCHEMBL13092162 0.79 ADRA2A (0.53) ALDH1A1HTR6ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL784724 0.79 ALDH1A1 (0.53) ALDH1A1KDM1A
SCHEMBL29653974 0.78 ALDH1A1 (0.56) ALDH1A1CYP4F2CYP4A11KDM1A
SCHEMBL8370378 0.77 ALDH1A1 (0.54) ALDH1A1CYP4F2CYP4A11KDM1A
SCHEMBL15235463 0.77 ALDH1A1 (0.54) ALDH1A1CYP4F2CYP4A11KDM1A
Oxalic Acid SCHEMBL5361082 0.76 HTR6 (0.56) ALDH1A1HTR6KDM4C
SCHEMBL15839921 0.75 HTR6 (0.54) HTR6KDM1AADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8663629-B2 Kallikrein-binding “kunitz domain” proteins and analogues thereof DYAX CORP. (US) 2014-03-04 US disclosed
US-20120328517-A1 KALLIKREIN-BINDING \"KUNITZ DOMAIN\" PROTEINS AND ANALOGUES THEREOF DYAX CORP. (US) 2012-12-27 US disclosed
US-8283321-B2 Kallikrein-binding “Kunitz domain” proteins and analogues thereof DYAX CORP. (US) 2012-10-09 US disclosed
US-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS UNIVERSITE DE MONTPELLIER I (FR) 2012-07-19 US disclosed
US-20110136746-A1 Kallikrein-Binding \"Kunitz Domain\" Proteins and Analogues Thereof DYAX CORP. (US) 2011-06-09 US disclosed
US-7628983-B2 Kallikrein-binding “Kunitz domain” proteins and analogues thereof DYAX CORP. (US) 2009-12-08 US disclosed
US-20060264603-A1 Kallikrein-binding \"Kunitz domain\" proteins and analogues thereof DYAX CORP 2006-11-23 US disclosed
US-20040009905-A1 Template associated NPY Y2-receptor agonists B.M.R.A. CORPORATION B.V. 2004-01-15 US disclosed
US-6288029-B1 TEMPLATE ASSEMBLED SYNTHETIC PEPTIDE EFFECTIVE TO TREAT RESPIRATORY SYSTEM DISORDERS MUTTER MANFRED (CH) 2001-09-11 US disclosed
EP-1068221-A2 TEMPLATE ASSOCIATED NPY Y2-RECEPTOR AGONISTS B.M.R.A. CORPORATION B.V. (NL) 2001-01-17 EP disclosed
US-6017879-A Template associated NPY Y2-receptor agonists B.M.R.A. CORPORATION B.V. (NL) 2000-01-25 US disclosed
WO-1999051626-A2 TEMPLATE ASSOCIATED NPY Y2-RECEPTOR AGONISTS B.M.R.A. CORP. B.V. (NL) 1999-10-14 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-20120328517-A1 KALLIKREIN-BINDING \"KUNITZ DOMAIN\" PROTEINS AND ANALOGUES THEREOF KLKB1, KLK2, KLK1 ALDH1A1 4855/4885HTR6 4364/4885CYP4F2 2781/4885
US-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS DNPEP, IAPP, VIP ALDH1A1 4687/4885HTR6 3879/4885CYP4F2 4508/4885
US-20060264603-A1 Kallikrein-binding \"Kunitz domain\" proteins and analogues thereof KLKB1, KLK2, KLK1 ALDH1A1 4855/4885HTR6 4364/4885CYP4F2 2781/4885
US-20040009905-A1 Template associated NPY Y2-receptor agonists NPY1R, NPY2R, NPY4R ALDH1A1 4870/4885HTR6 307/4885CYP4F2 2181/4885
US-20110136746-A1 Kallikrein-Binding \"Kunitz Domain\" Proteins and Analogues Thereof KLKB1, KLK2, KLK1 ALDH1A1 4855/4885HTR6 4364/4885CYP4F2 2781/4885

“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.