SCHEMBL93986

SCHEMBL93986

CCN(CC)CCNC(=O)CCC(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 1/20 0.44
CYP3A4 P08684 2/20 0.43
DNM1 Q05193 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL93812 0.83 GAA (0.49) CYP1A2CYP2D6GAACYP3A4DNM1
SCHEMBL12464695 0.83 FAAH (0.46) CYP1A2CYP2D6GAACYP3A4DNM1
SCHEMBL15468358 0.82 CASP2 (0.53) CYP1A2CYP2D6GAACYP3A4DNM1
Hydrochloric Acid SCHEMBL93987 0.81 GAA (0.48) CYP1A2CYP2D6GAACYP3A4DNM1
SCHEMBL24626058 0.81 CYP1A2 (0.46) CYP1A2CYP2D6GAACYP3A4DNM1
SCHEMBL11028511 0.80 CYP1A2 (0.49) CYP1A2CYP2D6GAACYP3A4ALDH1A1
SCHEMBL10900410 0.79 DNM1 (0.61) CYP1A2CYP2D6GAACYP3A4DNM1
SCHEMBL3550590 0.79 GAA (0.49) CYP1A2CYP2D6GAACYP3A4DNM1
Hydrochloric Acid SCHEMBL5041929 0.79 CYP3A4 (0.50) CYP1A2CYP2D6GAACYP3A4ALDH1A1
SCHEMBL474196 0.78 KMT2A (0.56) CYP1A2CYP2D6GAACYP3A4ALDH1A1

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-20180344858-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2018-12-06 US disclosed
US-20180344859-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2018-12-06 US disclosed
US-9884121-B2 Biomaterials and a method for making and using same ALUMEND, LLC (US) 2018-02-06 US disclosed
US-9855337-B2 Biomaterials and a method for making and using the same ALUMEND, LLC (US) 2018-01-02 US disclosed
US-20160175449-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALUMEND, LLC (US) 2016-06-23 US disclosed
EP-2114370-B1 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME ALLERGAN INC (US) 2012-10-03 EP disclosed
US-8252771-B2 A modified chitosan and a prostaglandin, prostamide, non-steroidal anti-inflammatory drug, or a corticosteroid; opthalmic drug delivery solution; improved bioavailability ALLERGAN, INC. (US) 2012-08-28 US disclosed
EP-2425816-A2 A pharmaceutical composition for use in treating an ocular disease or condition and a method for producing the composition Allergan, Inc. (US) 2012-03-07 EP disclosed
EP-2114370-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME Allergan, Inc. (US) 2009-11-11 EP disclosed
US-20080207561-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME ALLERGAN, INC. 2008-08-28 US disclosed
US-20080200948-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME PHOTOBIOMED CORPORATION (US) 2008-08-21 US disclosed
WO-2008094659-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME ALLERGAN, INC. (US) 2008-08-07 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-20080200948-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 CYP1A2 2359/4885CYP2D6 1698/4885GAA 47/4885
US-20180344859-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 CYP1A2 2359/4885CYP2D6 1698/4885GAA 47/4885
US-20180344858-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 CYP1A2 2359/4885CYP2D6 1698/4885GAA 47/4885
US-20160175449-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME MMP1, PLOD3, MMP2 CYP1A2 2359/4885CYP2D6 1698/4885GAA 47/4885
US-20080207561-A1 NOVEL BIOMATERIALS AND A METHOD FOR MAKING AND USING SAME PTGES, PTGES2, PTGIS CYP1A2 1366/4885CYP2D6 2596/4885GAA 4656/4885

“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.