Sugi Predict

Sugi Predict / Compounds / SCHEMBL3167134

SCHEMBL3167134

SCHEMBL3167134

CCCC(N)c1cccc(CC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ SIGMAR1 Q99720 3/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.35
▸ MAOA P21397 1/20 0.35

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
SCHEMBL23222060 0.86 AOC3 (0.40) AOC3
SCHEMBL18793671 0.85 SLC6A4 (0.41) NOS1NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL11663887 0.83 KIF11 (0.39) NOS1NOS2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL17710437 0.83 SLC6A4 (0.40) NOS1NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL9316515 0.83 KIF11 (0.39) NOS1NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL18793776 0.81 CFD (0.40) NOS1NOS2SLC6A2SLC6A4SLC6A3
SCHEMBL18618087 0.81 TP53 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL28224404 0.80 TP53 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL20720034 0.80 CFD (0.40) NOS1NOS2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20720035 0.80 CFD (0.40) NOS1NOS2SLC6A2SLC6A4SLC6A3

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914594-B1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE Bayer Pharma AG (DE) 2017-05-03 — — EP disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES JOHN VARGHESE 2010-06-10 — — US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7645780-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2010-01-12 — — US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 — — US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 — — US disclosed
US-7544717-B2 2-amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. (US) 2009-06-09 — — US disclosed
US-7244725-B2 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS, INC. (US) 2007-07-17 — — US disclosed
EP-1751091-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES Elan Pharmaceuticals, Inc. (US) 2007-02-14 — — EP disclosed
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 — — US disclosed
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes ELAN PHARMACEUTICALS, INC. 2005-12-01 — — US disclosed
WO-2005095326-A2 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES ELAN PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
EP-1565443-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES Elan Pharmaceuticals, Inc. (US) 2005-08-24 — — EP disclosed
WO-2005070407-A1 METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INIHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-08-04 — — WO disclosed
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes ELAN PHARMACEUTICALS INC. 2004-09-16 — — US disclosed
WO-2004024081-A2 ACETYL 2-HYDROXY-1,3 DIAMINOALKANES ELAN PHARMACEUTICALS, INC. (US) 2004-03-25 — — 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 (4 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-20100145056-A1 ACETYL 2-HYDROXY-1,3-DIAMINOALKANES BACE1, BACE2, APP NOS1 4225/4885NOS2 4671/4885SLC6A2 4538/4885
US-20040180939-A1 Acetyl 2-hydroxy-1, 3-diaminoalkanes BACE1, BACE2, APP NOS1 4527/4885NOS2 4822/4885SLC6A2 4587/4885
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP NOS1 4347/4885NOS2 4544/4885SLC6A2 2077/4885
US-20050267199-A1 2-Amino- and 2-thio- substituted 1,3-diaminopropanes BACE1, APP, BACE2 NOS1 2555/4885NOS2 3334/4885SLC6A2 2774/4885

“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.