SCHEMBL4544646

SCHEMBL4544646

CN1CCC(CCC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.50
ACHE P22303 6/20 0.41
HRH3 Q9Y5N1 2/20 0.40
GNAO1 P09471 2/20 0.38
GNAI3 P08754 1/20 0.38
GNAI1 P63096 1/20 0.38
HRH4 Q9H3N8 2/20 0.35
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
F2R P25116 1/20 0.33
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL25096216 0.92 NCF1 (0.43) NCF1ACHEHRH3GNAO1GNAI3
SCHEMBL13240487 0.91 NCF1 (0.41) NCF1ACHEHRH3GNAO1GNAI3
SCHEMBL17030786 0.86 NCF1 (0.46) NCF1ACHEHRH3GNAO1GNAI3
SCHEMBL24319800 0.82 NCF1 (0.62) NCF1ACHEHRH3GNAO1GNAI3
SCHEMBL8740002 0.80 NCF1 (0.54) NCF1ACHEHRH3GNAO1GNAI3
SCHEMBL24426052 0.79 NCF1 (0.48) NCF1ACHEHRH3GNAO1GNAI3
SCHEMBL14593629 0.79 HTT (0.30)
SCHEMBL9130127 0.79
SCHEMBL13967030 0.79 GNAO1 (0.47) HRH3GNAO1KCNH2CACNA1I
SCHEMBL15247131 0.79 NCF1 (0.43) NCF1ACHEHRH3GNAO1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-20200237766-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER SUMITOMO PHARMA ONCOLOGY, INC. 2020-07-30 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
US-10207996-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-02-11 US disclosed
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2015-12-03 US disclosed
US-9169240-B2 Ketone linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-8957075-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-02-17 US disclosed
US-20130196960-A1 Cannabinoid Receptor Agonists IRONWOOD PHARMACEUTICALS, INC. (US) 2013-08-01 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 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 (14 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NCF1 2185/4885ACHE 2310/4885HRH3 1610/4885
US-20160039838-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE THEREOF WNK1, ABL1, NEK4 NCF1 901/4885ACHE 3925/4885HRH3 1820/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK NCF1 1466/4885ACHE 4389/4885HRH3 887/4885
US-20130196960-A1 Cannabinoid Receptor Agonists CNR2, CNR1, GPR18 NCF1 2963/4885ACHE 1810/4885HRH3 295/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NCF1 2185/4885ACHE 2310/4885HRH3 1610/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 NCF1 1730/4885ACHE 389/4885HRH3 4616/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 NCF1 2866/4885ACHE 4012/4885HRH3 258/4885
US-10207996-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM NCF1 4738/4885ACHE 3589/4885HRH3 2625/4885
US-20200237766-A1 PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER PDK1, PDK2, PCK2 NCF1 1898/4885ACHE 4765/4885HRH3 4260/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL NCF1 2908/4885ACHE 2929/4885HRH3 1770/4885
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM NCF1 4738/4885ACHE 3589/4885HRH3 2625/4885
US-20150344436-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM NCF1 4738/4885ACHE 3589/4885HRH3 2625/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 NCF1 2185/4885ACHE 2310/4885HRH3 1610/4885
US-20150239879-A1 KETONE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE NCF1 1999/4885ACHE 573/4885HRH3 3024/4885

“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.