SCHEMBL10138439

SCHEMBL10138439

C#Cc1ccc(CN(Cc2ccc(C#C)cc2)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 13/20 0.36
TSHR P16473 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
MAOB P27338 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL578205 0.77 HRH3 (0.56) PYCR1TSHRHDAC8MAOBUSP2
SCHEMBL578620 0.73 HRH3 (0.59) PYCR1HDAC8
SCHEMBL10138441 0.72 PYCR1 (0.46) PYCR1TSHRMAOB
SCHEMBL4019573 0.72 HDAC8 (0.46) PYCR1TSHRHDAC8MAOBUSP2
SCHEMBL12085958 0.72 PYCR1 (0.34) PYCR1
SCHEMBL5962473 0.72 TSHR (0.54) PYCR1TSHRMAOBUSP2LMNA
SCHEMBL11957466 0.71 HRH3 (0.36) PYCR1
SCHEMBL935811 0.69 CYP2A6 (0.58) TSHRHDAC8
SCHEMBL30275188 0.69 CTSL (0.41) PYCR1
SCHEMBL15307307 0.68 CYP2A6 (0.43) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232616-A1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS INTEZYNE TECHNOLOGIES, INC. 2015-08-20 US disclosed
US-20150232616-A1 HYBRID BLOCK COPOLYMER MICELLES WITH MIXED STEREOCHEMISTRY FOR ENCAPSULATION OF HYDROPHOBIC AGENTS INTEZYNE TECHNOLOGIES, INC. 2015-08-20 US disclosed
US-8980326-B2 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents INTEZYNE TECHNOLOGIES, INC. (US) 2015-03-17 US disclosed
US-8980326-B2 Hybrid block copolymer micelles with mixed stereochemistry for encapsulation of hydrophobic agents INTEZYNE TECHNOLOGIES, INC. (US) 2015-03-17 US disclosed
US-8779008-B2 Polymeric micelles for drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2014-07-15 US disclosed
US-8779008-B2 Polymeric micelles for drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2014-07-15 US disclosed
US-20140170225-A1 IMMUNOTHERAPY FOR TREATMENT OF AMYLOID-RELATED DISORDERS USING ENCAPSULATED BETA-AMYLOID PEPTIDES INTEZYNE TECHNOLOGIES INC (US) 2014-06-19 US disclosed
US-20130310912-A1 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES (US) 2013-11-21 US disclosed
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INC. (US) 2013-08-01 US disclosed
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY INTEZYNE TECHNOLOGIES, INC. (US) 2013-08-01 US disclosed
US-7618944-B2 Encapsulating in micelle which is a block copolymer containing hydrophilic and hydrophobic blocks INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-17 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-7601796-B2 polyamideether copolymer has a hydrophilic polyethylene glycol and a hydrophobic polyamino acid blocks; modified polyethylene glycol homopolymer; forming conjugate polymer drug; resin peptides; use in pharmaceutically acceptable compositions INTEZYNE TECHNOLOGIES, INC. (US) 2009-10-13 US disclosed
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-09 US disclosed
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-09 US disclosed
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 US disclosed
US-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 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 (6 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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 PYCR1 2088/4885TSHR 3733/4885HDAC8 1151/4885
US-20080274965-A1 ENCAPSULATED AMYLOID-BETA PEPTIDES IAPP, APP, TTR PYCR1 1692/4885TSHR 3790/4885HDAC8 4821/4885
US-20130195987-A1 POLYMERIC MICELLES FOR DRUG DELIVERY ABCB4, CLTB, CD47 PYCR1 1792/4885TSHR 3168/4885HDAC8 2818/4885
US-20140170225-A1 IMMUNOTHERAPY FOR TREATMENT OF AMYLOID-RELATED DISORDERS USING ENCAPSULATED BETA-AMYLOID PEPTIDES IAPP, APP, TTR PYCR1 2380/4885TSHR 4273/4885HDAC8 4513/4885
US-20090092554-A1 ENCAPSULATED CONTRAST AGENTS LIPA, LPXN, CD47 PYCR1 3302/4885TSHR 2921/4885HDAC8 3493/4885
US-20080274173-A1 Copolymer of crosslinkable or crosslinked poly(amino acid block), and a hydrophobic D,L-mixed poly(amino acid) block; an inner core, crosslinked outer core, a hydrophilic shell; improved in vivo circulation time; drug delivery CLTB, SLC1A5, CLTA PYCR1 1557/4885TSHR 4361/4885HDAC8 4031/4885

“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.