Sugi Predict

Sugi Predict / Compounds / SCHEMBL569409

SCHEMBL569409

SCHEMBL569409

NCCC(N)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.46
▸ KIF11 P52732 9/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ KCNN4 O15554 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ KCNK2 O95069 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37

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
SCHEMBL2390381 0.88 HRH1 (0.50) HRH1KIF11TAAR1KDM4ELMNA
SCHEMBL529077 0.84 KIF11 (0.46) HRH1KIF11HTR2A
SCHEMBL938787 0.82 TAAR1 (0.43) KIF11TAAR1KDM4ELMNAMAPK1
SCHEMBL914102 0.81 KDM4E (0.39) KIF11TAAR1KDM4ELMNAMAPK1
Bromide SCHEMBL14334475 0.80 TAAR1 (0.41) KIF11TAAR1KDM4ELMNAMAPK1
SCHEMBL29788858 0.78 KIF11 (0.41) KIF11TAAR1KDM4ELMNAMAPK1
SCHEMBL7993168 0.76 CSNK1E (0.45) KIF11TAAR1KDM4ELMNAMAPK1
Acetic Acid SCHEMBL30066547 0.76 CPB2 (0.41) KIF11
SCHEMBL6655141 0.76 KDM4E (0.46) KIF11TAAR1KDM4ELMNAMAPK1
SCHEMBL3475085 0.73 KIF11 (0.57) KIF11KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715460-B Novel peptide derivative and use thereof 诺索药业公司 2022-04-08 — — CN disclosed
US-10954231-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2021-03-23 — — US disclosed
US-10626144-B2 Peptide derivatives and uses thereof NOSOPHARM (FR) 2020-04-21 — — US disclosed
US-10233181-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2019-03-19 — — US disclosed
US-9975892-B2 Anxiolytic compounds BIONOMICS LIMITED (AU) 2018-05-22 — — US disclosed
US-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2018-04-19 — — US disclosed
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 — — US disclosed
EP-3197908-A1 NOVEL PEPTIDE DERIVATIVES AND USES THEREOF Nosopharm (FR) 2017-08-02 — — EP disclosed
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS BIONOMICS LIMITED (AU) 2017-06-29 — — US disclosed
EP-1226129-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES Cytokinetics, Inc. (US) 2002-07-31 — — EP disclosed
US-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 — — US disclosed
EP-1169311-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2002-01-09 — — EP disclosed
WO-2001098278-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-12-27 — — WO disclosed
WO-2000056724-A9 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES RHODE ISLAND EDUCATION (US) 2001-10-25 — — WO disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 — — US disclosed
WO-2001030768-A1 METHODS AND COMPOSITIONS UTILIZING QUINAZOLINONES CYTOKINETICS, INC. (US) 2001-05-03 — — WO disclosed
EP-1056773-A2 ANGIOGENESIS TARGETING MOLECULES RESOLUTION PHARMACEUTICALS INC. (CA) 2000-12-06 — — EP disclosed
WO-2000056724-A1 OXAZOLE AND THIAZOLE COMBINATORIAL LIBRARIES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 2000-09-28 — — WO disclosed
WO-1999040947-A2 ANGIOGENESIS TARGETING MOLECULES RESOLUTION PHARMACEUTICALS INC. (CA) 1999-08-19 — — 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 (8 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-10626144-B2 Peptide derivatives and uses thereof VIP, IAPP, NGLY1 HRH1 3139/4885KIF11 3787/4885TAAR1 3873/4885
US-20180105523-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 HRH1 486/4885KIF11 3976/4885TAAR1 47/4885
US-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment SRM, SLC7A1, CATSPER1 HRH1 60/4885KIF11 4301/4885TAAR1 782/4885
US-20170183347-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 HRH1 486/4885KIF11 4054/4885TAAR1 54/4885
US-10233181-B2 Anxiolytic compounds GABBR1, GABRA6, SLC18A2 HRH1 618/4885KIF11 4049/4885TAAR1 44/4885
US-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 HRH1 3139/4885KIF11 3787/4885TAAR1 3873/4885
US-20180105524-A1 NOVEL ANXIOLYTIC COMPOUNDS SLC18A2, CNR1, OPRK1 HRH1 486/4885KIF11 4054/4885TAAR1 54/4885
US-10954231-B2 Anxiolytic compounds GABRA6, GABRA2, GABRA5 HRH1 688/4885KIF11 3992/4885TAAR1 48/4885

“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.