SCHEMBL793443

SCHEMBL793443

C[C@H]1CCCN(C(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH3 Q9Y5N1 6/20 0.34
MAOB P27338 2/20 0.34
RECQL P46063 1/20 0.33
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL681120 1.00 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EPOLBMEN1
SCHEMBL10248897 1.00 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EPOLBMEN1
SCHEMBL10220842 0.93 KDM4E (0.34) ALDH1A1LMNAKDM4EPOLBMEN1
SCHEMBL20748223 0.93 KDM4E (0.34) ALDH1A1LMNAKDM4EPOLBMEN1
SCHEMBL20748224 0.93 KDM4E (0.34) ALDH1A1LMNAKDM4EPOLBMEN1
SCHEMBL679606 0.85 ATM (0.34) ATM
SCHEMBL681239 0.85 ATM (0.34) ATM
SCHEMBL681525 0.85 ATM (0.34) ATM
SCHEMBL12359964 0.82 ALDH1A1 (0.35) ALDH1A1LMNAKDM4EPOLBMEN1
SCHEMBL10221054 0.81 ACHE (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-11857603-B2 PTH compounds with low peak-to-trough ratios ASCENDIS PHARMA BONE DISEASES A/S (DK) 2024-01-02 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-08-10 US disclosed
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) PHARMACYCLICS LLC (US) 2023-08-10 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-08-03 US disclosed
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) PHARMACYCLICS LLC (US) 2023-06-13 US disclosed
US-20130273030-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. (US) 2013-10-17 US disclosed
US-20130202611-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. (US) 2013-08-08 US disclosed
US-20130178483-A1 Methods and Compositions for Inhibition of Bone Resorption PHARMACYCLICS, INC. (US) 2013-07-11 US disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
US-20120183535-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120087915-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) PHARMACYCLICS, INC. (US) 2012-04-12 US disclosed
US-20120071497-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-22 US disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 US disclosed
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 US disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 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 (17 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-20120071497-A1 METHODS OF TREATING ABC-DLBCL USING INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, BCL6, BCL6B ALDH1A1 3582/4885LMNA 2826/4885KDM4E 1288/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS ALDH1A1 2792/4885LMNA 2600/4885KDM4E 3032/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 ALDH1A1 1817/4885LMNA 4048/4885KDM4E 1725/4885
US-20230242544-A1 QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1817/4885LMNA 3720/4885KDM4E 2736/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 ALDH1A1 1474/4885LMNA 2549/4885KDM4E 860/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 ALDH1A1 1474/4885LMNA 2549/4885KDM4E 860/4885
US-11857603-B2 PTH compounds with low peak-to-trough ratios PTH1R, PTMS, FGF23 ALDH1A1 4537/4885LMNA 3162/4885KDM4E 3809/4885
US-20130178483-A1 Methods and Compositions for Inhibition of Bone Resorption BTK, CTTN, BMX ALDH1A1 4755/4885LMNA 2321/4885KDM4E 923/4885
US-20230248730-A1 USE OF INHIBITORS OF BRUTONS TYROSINE KINASE (BTK) BTK, LYN, SYK ALDH1A1 3452/4885LMNA 4363/4885KDM4E 2333/4885
US-11672803-B2 Use of inhibitors of Brutons tyrosine kinase (Btk) BTK, LYN, SYK ALDH1A1 3452/4885LMNA 4363/4885KDM4E 2333/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885LMNA 2600/4885KDM4E 3032/4885
US-20130273030-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) BTK, SYK, LYN ALDH1A1 3331/4885LMNA 4440/4885KDM4E 2459/4885
US-20130202611-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) BTK, SYK, LYN ALDH1A1 3331/4885LMNA 4440/4885KDM4E 2459/4885
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 ALDH1A1 1066/4885LMNA 464/4885KDM4E 309/4885
US-20120087915-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) BTK, SYK, LYN ALDH1A1 3331/4885LMNA 4440/4885KDM4E 2459/4885
US-20120183535-A1 USE OF INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) BTK, SYK, LYN ALDH1A1 3331/4885LMNA 4440/4885KDM4E 2459/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1158/4885LMNA 3767/4885KDM4E 3094/4885

“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.