SCHEMBL4135869

SCHEMBL4135869

CN1CCN(C(=O)C2CCCC2)CC1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.85
ALDH1A1 P00352 3/20 0.75
TSHR P16473 2/20 0.75
HTT P42858 1/20 0.75
HSD11B1 P28845 2/20 0.61
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.48
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47

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
Pexantel SCHEMBL1812341 0.98 LMNA (0.89) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL12632672 0.96 LMNA (0.79) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL14277548 0.92 LMNA (1.00) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL2075903 0.91 HTT (0.81) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL12632681 0.90 LMNA (0.89) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL8194135 0.89 HTT (0.71) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL30929928 0.89 ALDH1A1 (0.95) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL7131881 0.86 ALDH1A1 (1.00) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL10559542 0.86 ALDH1A1 (1.00) LMNAALDH1A1TSHRHTTHSD11B1
SCHEMBL3436956 0.84 LMNA (0.69) LMNAALDH1A1TSHRHTTHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023093832-A1 TRICYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海济煜医药科技有限公司 2023-06-01 WO disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
EP-3778571-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE Bioway, Inc. (KR) 2021-02-17 EP disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
US-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE BIOWAY., INC (KR) 2020-05-21 US disclosed
WO-2019190177-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE 주식회사 바이오웨이 2019-10-03 WO disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 US disclosed
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-9676747-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-06-13 US disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
EP-2134695-A1 INHIBITORS OF THE HEDGEHOG PATHWAY Exelixis, Inc. (US) 2009-12-23 EP disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 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-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO LMNA 4340/4885ALDH1A1 1486/4885TSHR 3147/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO LMNA 4446/4885ALDH1A1 1523/4885TSHR 2969/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 LMNA 2693/4885ALDH1A1 3241/4885TSHR 1588/4885
US-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE PCK1, PCK2, ACACB LMNA 1567/4885ALDH1A1 2738/4885TSHR 2520/4885
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO LMNA 4340/4885ALDH1A1 1486/4885TSHR 3147/4885

“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.