SCHEMBL13509554

SCHEMBL13509554

CCOCCN1CCN(C(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.41
DAO P14920 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 4/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC2A1 P11166 2/20 0.35
TLR7 Q9NYK1 1/20 0.34
HTT P42858 2/20 0.33
HRH1 P35367 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL22282077 0.92 MAOB (0.42) MAOBDAOKDM1AMAOAHRH3
SCHEMBL23868234 0.86 MAOB (0.40) MAOBDAOKDM1AMAOAHRH3
SCHEMBL4893159 0.85 CYP2D6 (0.41) CYP2D6CYP2C19HTTHRH1KDM4E
SCHEMBL14451172 0.85 CYP2D6 (0.41) CYP2D6CYP2C19HTTHRH1KDM4E
SCHEMBL11572427 0.85
SCHEMBL18270112 0.85 MAOB (0.39) MAOBDAOKDM1AMAOAHRH3
SCHEMBL20331224 0.82 MAOB (0.40) MAOBDAOKDM1AMAOAHRH3
SCHEMBL24753347 0.82 GNAI3 (0.41) MAOBMAOATLR7HTT
SCHEMBL19605014 0.81 MAOB (0.39) MAOBDAOKDM1AMAOAHRH3
SCHEMBL12572933 0.81 HTR7 (0.49) MAOBDAOKDM1AMAOACYP2D6

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-4272825-A2 MTORC MODULATORS AND USES THEREOF Aeovian Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-01-05 US disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-11021492-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2021-01-07 US disclosed
WO-2020154447-A1 MTORC MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2020-07-30 WO disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 US disclosed
US-9314468-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-9290507-B2 B-RAF kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-9290507-B2 B-RAF kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-22 US disclosed
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20130190286-A1 B-RAF KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-25 US disclosed
US-20130172330-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. (US) 2013-07-04 US disclosed
US-8338448-B2 Chemokine receptor modulators ALTIRIS THERAPEUTICS, INC. (US) 2012-12-25 US disclosed
US-20100029634-A1 Chemokine Receptor Modulators ALTIRIS THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US 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 (13 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 MAOB 2614/4885DAO 1235/4885KDM1A 1505/4885
US-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 MAOB 260/4885DAO 4115/4885KDM1A 997/4885
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A MAOB 2303/4885DAO 2783/4885KDM1A 136/4885
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 MAOB 2614/4885DAO 1235/4885KDM1A 1505/4885
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH MAOB 110/4885DAO 39/4885KDM1A 1367/4885
US-20210002300-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR MAOB 4449/4885DAO 4461/4885KDM1A 3869/4885
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS KRAS, NRAS, HRAS MAOB 4725/4885DAO 4674/4885KDM1A 3893/4885
US-20130172330-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 MAOB 4533/4885DAO 4659/4885KDM1A 4652/4885
US-20130190286-A1 B-RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAOB 662/4885DAO 2387/4885KDM1A 1545/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 MAOB 2630/4885DAO 1253/4885KDM1A 1452/4885
US-20100029634-A1 Chemokine Receptor Modulators CCR5, CXCR4, ACKR3 MAOB 4533/4885DAO 4659/4885KDM1A 4652/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 MAOB 4311/4885DAO 4170/4885KDM1A 1242/4885
US-11021492-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR MAOB 4449/4885DAO 4461/4885KDM1A 3869/4885

“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.